SCHEMBL8656367

SCHEMBL8656367

CC1CC(c2ccc(C(F)(F)F)cc2)=C(c2ccc(S(N)(=O)=O)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
PTGS1 P23219 2/20 0.51
KIF11 P52732 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CA2 P00918 6/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
PDPK1 O15530 1/20 0.38

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
SCHEMBL8655566 0.93 PTGS2 (0.51) PTGS2PTGS1KIF11L3MBTL1CA2
SCHEMBL8651425 0.91 PTGS2 (0.53) PTGS2PTGS1KIF11L3MBTL1KDM1A
SCHEMBL8655352 0.89 PTGS2 (0.52) PTGS2PTGS1KIF11KDM1AMAOB
SCHEMBL8654947 0.88 PTGS2 (0.51) PTGS2PTGS1KIF11L3MBTL1KDM1A
SCHEMBL8652034 0.88 PTGS2 (0.48) PTGS2PTGS1KIF11L3MBTL1KDM1A
SCHEMBL8654246 0.87 PTGS2 (0.48) PTGS2PTGS1MAOBCA2CA9
SCHEMBL8652663 0.86 PTGS2 (0.49) PTGS2PTGS1KIF11L3MBTL1KDM1A
SCHEMBL8653774 0.86 PTGS2 (0.67) PTGS2PTGS1KIF11L3MBTL1CA2
SCHEMBL8655377 0.85 PTGS2 (0.48) PTGS2PTGS1KIF11L3MBTL1KDM1A
SCHEMBL8652015 0.85 PTGS2 (0.48) PTGS2PTGS1KIF11L3MBTL1KDM1A

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 6 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 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