SCHEMBL8662979

SCHEMBL8662979

Cc1cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
PTGS1 P23219 3/20 0.41
FABP4 P15090 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F10 P00742 1/20 0.38
SCN9A Q15858 1/20 0.37
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL8661719 0.91 PTGS2 (0.41) PTGS2PTGS1FABP4POLBMAPT
SCHEMBL8659713 0.88 PTGS2 (0.47) PTGS2PTGS1FABP4F10ALOX5AP
SCHEMBL8659133 0.87 FABP4 (0.45) PTGS2PTGS1FABP4F10SCN9A
SCHEMBL8656123 0.87 F10 (0.39) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8658302 0.86 PTGS2 (0.39) PTGS2PTGS1FABP4F10SCN9A
SCHEMBL8659097 0.86 PTGS2 (0.44) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8658491 0.86 PTGS2 (0.47) PTGS2PTGS1FABP4F10SCN9A
SCHEMBL8659269 0.85 PTGS2 (0.50) PTGS2PTGS1POLBMAPTNPSR1
SCHEMBL8661266 0.85 PTGS2 (0.49) PTGS2PTGS1SCN9AALOX5APFEN1
SCHEMBL8662914 0.85 ALOX5AP (0.41) PTGS2PTGS1F10SCN9AALOX5AP

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-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed