SCHEMBL6780053

SCHEMBL6780053

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)csc2CCCC(=O)N(C)O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.54
PTGS1 P23219 12/20 0.54
PRKCZ Q05513 1/20 0.43

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
SCHEMBL6309154 0.95 PTGS2 (0.55) PTGS2PTGS1PRKCZ
SCHEMBL6781474 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6309362 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6780056 0.87 PTGS2 (0.44) PTGS2PTGS1PRKCZ
SCHEMBL6309247 0.86 ALOX5 (0.49) PTGS2PTGS1
SCHEMBL6315413 0.86 PTGS2 (0.45) PTGS2PTGS1PRKCZ
SCHEMBL6315480 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6314423 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6315520 0.83 ALOX5 (0.41) PTGS2PTGS1
SCHEMBL6314768 0.83 PTGS2 (0.57) PTGS2PTGS1PRKCZ

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-6753344-B2 SULFONYL OR SULFONAMIDE SUBSTITUTED BENZENE DERIVATIVE CONTAINING HYDROXYUREA GROUP; USEFUL AS ANTIINFLAMMATORY AGENT PHARMACIA CORPORATION 2004-06-22 US claimed