SCHEMBL3478075

SCHEMBL3478075

CNC(=O)C(Cc1ccc(NS(=O)(=O)O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 15/20 0.58
CTSS P25774 3/20 0.58
CTSK P43235 3/20 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
SCHEMBL13224680 1.00 PTPRB (0.58) PTPRBCTSSCTSK
SCHEMBL6803159 0.94 PTPRB (0.61) PTPRBCTSSCTSK
SCHEMBL3486971 0.94 PTPRB (0.61) PTPRBCTSSCTSK
SCHEMBL3486972 0.94 PTPRB (0.61) PTPRBCTSSCTSK
SCHEMBL6800353 0.92 PTPRB (0.56) PTPRBCTSSCTSK
SCHEMBL6800348 0.92 PTPRB (0.56) PTPRBCTSSCTSK
SCHEMBL5188418 0.88 CTSS (0.72) CTSSCTSK
SCHEMBL7273440 0.88 CTSS (0.72) CTSSCTSK
SCHEMBL5188769 0.88 CTSS (0.72) CTSSCTSK
SCHEMBL6884640 0.87 CTSS (0.55) PTPRBCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7769575-B2 Three dimensional coordinates of HPTPbeta Warner Chilcott, LLC (US) 2010-08-03 US disclosed
US-20100030487-A1 THREE DIMENSIONAL COORDINATES OF HPTPbeta Aerpio Pharmaceuticals, Inc. 2010-02-04 US disclosed
US-7507568-B2 Three dimensional coordinates of HPTPbeta THE PROCTOR & GAMBLE COMPANY (US) 2009-03-24 US disclosed
US-20040077065-A1 Three dimensional coordinates of HPTPbeta THE PROCTER & GAMBLE COMPANY 2004-04-22 US disclosed