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Markush Technology
Árpád Figyelmesi
INTRODUCTION
SECTION TITLE
Drug Discovery & Patents
Early-stage idea validation
• Are my structures new compared to the prior art?
Patent drafting
• Does my claim cover my structure series?
• Does my claim cover any structures from the prior art?
• Does the application that I already filed cover my new
structure series or do I need to file a new one?
Importance of Markush Structures
Between 1994 and 2013
3,704,996 US patents
468,262 with Markush claims
Every eighth patent contains
Markush claims
Markush claims often cover
>1010 structures
Joseph J. Mallon, 2014
What Are the Limits of the Person Skilled in the Art?
USPTO Supplementary Examination Guidelines about Indefiniteness
A Markush claim may encompass a large number of alternative
species, but is not necessarily indefinite under 35 U.S.C. 112(b) for
such breadth. In certain circumstances, however, Markush group may
be so expansive that persons skilled in the art cannot determine the
metes and bounds of the claimed invention…
SEARCH AND REPRESENTATION
Markush Representation
• R-groups
• Atom lists
• Bond lists
• Position variations
• Repeating units
• Homology groups
Markush Technology
• Search
• Hit visualization
• Non-hit visualization
• Enumeration
• Composer
• Markush to text
Search Improvements
x100 speed-up New Markush search engine
• In Full structure search
• Memory requirements reduced by 90%
• No impossible structures anymore
• Open the way for new representation features
Representation Improvements
• Multiplier
• Optionally substituted
• Fragment representing a bond
• Attachment on pos.var
PATENT DRAFTING –
MARKUSH EDITOR
Patent Drafting Workflow
• Starts with a list of compounds
• Find scaffold
• Formulate R-groups
• Generalize
• Formulate subclaims
Computer-Aided Patent Drafting
• Scaffold detection
• R-group formualtion
• Interactive editor
• Search and
visualization
• Document generation
Markush Generation
Generate Markush structure from a series of compounds
Interactive Editor
Markush to Text
Generate claim draft from the Markush structure
MARKUSH EXTRACTION -
CHEMCURATOR
Computer-Aided Structure Extraction
• Document annotation
• Name to structure
• Markush representation
• Search and visualization
Naming Technology
• IUPAC, Common names, traditional names, brand names
• Built-in OCR error correction and flexible recognition
• Compounds and R-group fragments
• English (2008)
• Chinese (2013)
• Japanese (2014)
Compounds Extraction View
Markush Extraction View
• Structural representation of Markush claims
• High-quality Markush structures extracted from project-
related patents or patent drafts
• Analysis of the claimed chemical space
Patent Curation
Example Workflow
Select
Documents
Extract
Markush
Claims
Validate
Structure
Ideas
Load to
Database
MRV files
Select project-specific
patents and curate or
send them for curation
Use the MRV representation
of the Markush claims for
automatic, in-house idea
validation
CASE STUDY
US 2017/0260195 A1
Example Structures
• 11 structures in the
claims
• 67 structures in the
description
Are These Structures Covered?
Automatic Validation
6 structures are not covered!
Hit and Non-Hit Visualization
Where Is the Mistake?
Extraction Process (ChemCurator)
• Markush curation
ChemCurator 30 min
• Examples extractions
ChemCurator + CLiDE 10 min
• Analysis
ChemCurator 5 min
Try to Generate (Markush Editor)
• Automatic generation
less than 2 sec
• All the examples
covered
• Scaffold and R-groups
close to the patent
CONCLUSION
Conclusion
New solutions exist to Move on the next
stage with your inhouse IP process
• Write better-quality patents
• Understand your competitors’ patents
• Integrate IP knowledge into your early-
stage discovery process
Árpád Figyelmesi
afigyelmesi@chemaxon.com

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