SCHEMBL16229191

SCHEMBL16229191

COc1ccc(-c2csc([C@H](Cc3ccc(NS(=O)(=O)O)cc3)NC(=O)C(C)(C)C)n2)c(C=O)c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.81

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
SCHEMBL29498160 0.90 PTPRB (1.00) PTPRB
SCHEMBL468045 0.90 PTPRB (1.00) PTPRB
SCHEMBL468047 0.90 PTPRB (1.00) PTPRB
SCHEMBL684287 0.88 PTPRB (1.00) PTPRB
SCHEMBL468329 0.84 PTPRB (1.00) PTPRB
SCHEMBL468328 0.84 PTPRB (1.00) PTPRB
SCHEMBL467958 0.79 PTPRB (1.00) PTPRB
SCHEMBL467957 0.79 PTPRB (1.00) PTPRB
SCHEMBL21514833 0.79 PTPRB (0.67) PTPRB
SCHEMBL679711 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883832-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS INC. (US) 2014-11-11 US disclosed