SCHEMBL8658302

SCHEMBL8658302

COc1cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
PTGS1 P23219 4/20 0.39
P2RX3 P56373 2/20 0.39
SCN9A Q15858 1/20 0.38
F10 P00742 3/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
FABP4 P15090 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL8661927 0.88 PTGS2 (0.36) PTGS2PTGS1P2RX3SCN9AF10
SCHEMBL8660177 0.87 PTGS2 (0.47) PTGS2PTGS1P2RX3F10BRD4
SCHEMBL8656219 0.86 PTGS2 (0.46) PTGS2PTGS1F10
SCHEMBL8662979 0.86 PTGS2 (0.41) PTGS2PTGS1SCN9AF10FABP4
SCHEMBL8661281 0.86 PTGS2 (0.52) PTGS2PTGS1F10PGRAR
SCHEMBL8659810 0.86 PTGS2 (0.49) PTGS2PTGS1P2RX3SCN9AF10
SCHEMBL8662796 0.85 POLB (0.41) PTGS2PTGS1P2RX3SCN9AF10
SCHEMBL8659713 0.85 PTGS2 (0.47) PTGS2PTGS1F10FABP4
SCHEMBL6725882 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8659133 0.84 FABP4 (0.45) PTGS2PTGS1SCN9AF10FABP4

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