SCHEMBL8655415

SCHEMBL8655415

CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)nc3)CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.69
PTGS1 P23219 3/20 0.61
KCNH2 Q12809 2/20 0.55
MAP4K4 O95819 1/20 0.55
PIK3CA P42336 1/20 0.55
MINK1 Q8N4C8 1/20 0.55
PI4KB Q9UBF8 1/20 0.55

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
SCHEMBL8653101 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8652643 0.84 PTGS2 (0.65) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8651517 0.84 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8655054 0.83 KCNH2 (0.53) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8652520 0.83 PTGS2 (0.54) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8652240 0.83 KCNH2 (0.53) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8388494 0.83 PTGS2 (0.66) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8385138 0.83 PTGS2 (0.66) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8652010 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8653126 0.82 PTGS2 (0.67) 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 9 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-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO 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