SCHEMBL8656123

SCHEMBL8656123

Cc1cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)cc(C)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
PTGS2 P35354 7/20 0.38
PTGS1 P23219 3/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.34
PTPRC P08575 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL8657920 0.87 PTGS2 (0.44) F10PTGS2PTGS1CA12CA2
SCHEMBL8656138 0.87 PTGS2 (0.43) F10PTGS2PTGS1POLBMAPT
SCHEMBL8661512 0.87 POLB (0.42) F10PTGS2PTGS1POLBMAPT
SCHEMBL8662979 0.87 PTGS2 (0.41) F10PTGS2PTGS1POLBMAPT
SCHEMBL8656182 0.86 PTGS2 (0.38) F10PTGS2PTGS1MAPTNPSR1
SCHEMBL8661927 0.86 PTGS2 (0.36) F10PTGS2PTGS1POLBMAPT
SCHEMBL8660888 0.85 PTGS2 (0.40) F10PTGS2PTGS1POLBMAPT
SCHEMBL8659292 0.84 PTGS2 (0.45) F10PTGS2PTGS1CA12CA2
SCHEMBL8661719 0.84 PTGS2 (0.41) F10PTGS2PTGS1POLBMAPT
SCHEMBL8659097 0.83 PTGS2 (0.44) F10PTGS2PTGS1POLBMAPT

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