SCHEMBL8654697

SCHEMBL8654697

CS(=O)(=O)c1ccc(C2=C(c3ccccc3)CCC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.62
PTGS1 P23219 4/20 0.45
RORC P51449 1/20 0.41
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL8653186 0.88 PTGS2 (0.62) PTGS2PTGS1PIK3CDPIP5K1CPIK3CB
SCHEMBL8652642 0.87 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8654672 0.87 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8652780 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7114365 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8652732 0.83 PTGS2 (0.66) PTGS2PTGS1PIK3CDPIP5K1CPIK3CB
SCHEMBL8653345 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5700356 0.82 RORC (0.53) PTGS2PTGS1RORCPIK3CDPIP5K1C
SCHEMBL8384032 0.82 PTGS2 (0.51) PTGS2PTGS1RORC
SCHEMBL8386243 0.82 PTGS2 (0.51) PTGS2PTGS1RORC

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