SCHEMBL20787804

SCHEMBL20787804

COC(=O)N[C@H](CN[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2ccc(C)nc2)n1)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.65

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
SCHEMBL468101 0.87 PTPRB (0.85) PTPRB
SCHEMBL679465 0.87 PTPRB (0.85) PTPRB
SCHEMBL29794283 0.87 PTPRB (0.85) PTPRB
SCHEMBL24527353 0.85 PTPRB (0.76) PTPRB
SCHEMBL3616522 0.84 PTPRB (0.66) PTPRB
SCHEMBL3616516 0.84 PTPRB (0.66) PTPRB
SCHEMBL678441 0.79 PTPRB (1.00) PTPRB
SCHEMBL468267 0.79 PTPRB (1.00) PTPRB
SCHEMBL22751747 0.77 PTPRB (0.73) PTPRB
SCHEMBL8282861 0.76 PTPRB (0.89) 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
EP-2451279-B1 BENZOSULFONAMIDE DERIVATIVES, COMPOSITIONS THEREOF, AND THEIR USE IN PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC (US) 2019-03-13 EP claimed