SCHEMBL8653222

SCHEMBL8653222

CC1(C)CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(F)cn2)C1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 11/20 0.72

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
SCHEMBL8653590 0.92 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8654917 0.90 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8385400 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8654729 0.89 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8385110 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8652504 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8384212 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8657861 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8655421 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8655266 0.85 PTGS2 (0.58) 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 7 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-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