SCHEMBL8651306

SCHEMBL8651306

CC1(C)CC(c2ccc(F)cc2)=C(c2ccc(S(N)(=O)=O)nc2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.57
PTGS1 P23219 12/20 0.57
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.37
ALPL P05186 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
SCHEMBL8654671 0.89 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL8384675 0.88 PTGS2 (0.66) PTGS2PTGS1CA1CA2CA9
SCHEMBL8653275 0.87 PTGS2 (0.67) PTGS2PTGS1ALPL
SCHEMBL8651445 0.87 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA9
SCHEMBL8652954 0.85 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL8385327 0.85 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA9
SCHEMBL8655137 0.85 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA9
SCHEMBL8385331 0.85 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA9
SCHEMBL8653993 0.85 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA9
SCHEMBL8655969 0.84 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP claimed
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed