SCHEMBL1287154

SCHEMBL1287154

CCc1csc(C(Cc2[c]cc(NS(=O)(=O)O)cc2)NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 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
SCHEMBL468099 0.90 PTPRB (0.54) PTPRB
SCHEMBL500949 0.89 PTPRB (0.73) PTPRB
SCHEMBL29794257 0.89 PTPRB (0.73) PTPRB
SCHEMBL500950 0.89 PTPRB (0.73) PTPRB
SCHEMBL468118 0.86 PTPRB (0.75) PTPRB
SCHEMBL29794300 0.86 PTPRB (0.75) PTPRB
SCHEMBL468120 0.86 PTPRB (0.75) PTPRB
SCHEMBL934501 0.85 PTPRB (0.62) PTPRB
SCHEMBL468256 0.81 PTPRB (0.58) PTPRB
SCHEMBL19775202 0.80 PTPRB (0.57) 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-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed