SCHEMBL3926682

SCHEMBL3926682

CC(C)C[C@@H](C(=O)NC(Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2cccs2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.65
PTPN1 P18031 1/20 0.54

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
SCHEMBL680027 1.00 PTPRB (0.65) PTPRBPTPN1
SCHEMBL680026 1.00 PTPRB (0.65) PTPRBPTPN1
SCHEMBL679638 0.92 PTPRB (0.70) PTPRBPTPN1
SCHEMBL21670804 0.92 PTPRB (0.70) PTPRBPTPN1
SCHEMBL679639 0.92 PTPRB (0.70) PTPRBPTPN1
SCHEMBL1287182 0.90 PTPRB (0.65) PTPRB
SCHEMBL679603 0.89 PTPRB (0.72) PTPRB
SCHEMBL679604 0.89 PTPRB (0.72) PTPRB
SCHEMBL28828035 0.89 PTPRB (0.50) PTPRBPTPN1
SCHEMBL468246 0.86 PTPRB (0.66) 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 claimed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed