SCHEMBL8657828

SCHEMBL8657828

Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 13/20 0.63

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
SCHEMBL8656040 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8651467 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8655910 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8655667 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8653419 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8652822 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8654777 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8993401 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8652856 0.80 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8654946 0.80 PTGS2 (0.76) 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 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