SCHEMBL3928678

SCHEMBL3928678

CCc1csc([C@H](Cc2ccc(NS(=O)(=O)O)cc2)NC(=O)C(Cc2ccccc2)NC(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL468069 1.00 PTPRB (1.00) PTPRB
SCHEMBL468065 1.00 PTPRB (1.00) PTPRB
SCHEMBL17974595 0.92 PTPRB (0.86) PTPRB
SCHEMBL468317 0.91 PTPRB (1.00) PTPRB
SCHEMBL680192 0.91 PTPRB (1.00) PTPRB
SCHEMBL12086269 0.91 PTPRB (0.84) PTPRB
SCHEMBL22600451 0.91 PTPRB (0.89) PTPRB
Ammonia Solution, Strong SCHEMBL16030961 0.91 PTPRB (0.98) PTPRB
SCHEMBL680101 0.90 PTPRB (1.00) PTPRB
SCHEMBL680102 0.90 PTPRB (1.00) PTPRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed