SCHEMBL3925366

SCHEMBL3925366

COC(=O)C(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccc(Cl)s2)cs1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.79
PTPN1 P18031 1/20 0.58

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
SCHEMBL3624034 1.00 PTPRB (0.79) PTPRBPTPN1
SCHEMBL3624039 1.00 PTPRB (0.79) PTPRBPTPN1
SCHEMBL3617607 0.89 PTPRB (0.79) PTPRBPTPN1
SCHEMBL3617599 0.89 PTPRB (0.79) PTPRBPTPN1
SCHEMBL3622628 0.89 PTPRB (0.79) PTPRBPTPN1
SCHEMBL3622625 0.89 PTPRB (0.79) PTPRBPTPN1
SCHEMBL679088 0.88 PTPRB (1.00) PTPRB
SCHEMBL679087 0.88 PTPRB (1.00) PTPRB
SCHEMBL3616569 0.88 PTPRB (0.70) PTPRBPTPN1
SCHEMBL3616565 0.88 PTPRB (0.70) PTPRBPTPN1

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