SCHEMBL468324

SCHEMBL468324

COC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 1.00

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
SCHEMBL679547 1.00 PTPRB (1.00) PTPRB
SCHEMBL679548 1.00 PTPRB (1.00) PTPRB
SCHEMBL680482 0.95 PTPRB (0.91) PTPRB
SCHEMBL680483 0.95 PTPRB (0.91) PTPRB
SCHEMBL679350 0.94 PTPRB (1.00) PTPRB
SCHEMBL679349 0.94 PTPRB (1.00) PTPRB
SCHEMBL679950 0.92 PTPRB (0.85) PTPRB
SCHEMBL679951 0.92 PTPRB (0.85) PTPRB
SCHEMBL3615353 0.92 PTPRB (0.85) PTPRB
SCHEMBL679586 0.92 PTPRB (0.87) 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-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP claimed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US claimed