SCHEMBL8656357

SCHEMBL8656357

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

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.68
PTGS1 P23219 6/20 0.50
KIF11 P52732 2/20 0.46

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
SCHEMBL8657626 0.88 PTGS2 (0.68) PTGS2PTGS1KIF11
SCHEMBL8655330 0.87 PTGS2 (0.67) PTGS2PTGS1KIF11
SCHEMBL8653774 0.87 PTGS2 (0.67) PTGS2PTGS1KIF11
SCHEMBL8653060 0.86 PTGS2 (0.52) PTGS2PTGS1KIF11
SCHEMBL8655352 0.86 PTGS2 (0.52) PTGS2PTGS1KIF11
SCHEMBL8657845 0.84 PTGS2 (0.63) PTGS2PTGS1KIF11
SCHEMBL8654144 0.84 PTGS2 (0.63) PTGS2PTGS1KIF11
SCHEMBL8655054 0.83 KCNH2 (0.53) PTGS2PTGS1
SCHEMBL8651429 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8654582 0.83 PTGS2 (0.62) PTGS2PTGS1

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 4 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
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed