SCHEMBL6167959

SCHEMBL6167959

CCc1onc(-c2ccc(OC)c(Cl)c2)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.53
PTGS1 P23219 5/20 0.48

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
SCHEMBL6170607 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6168327 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6168181 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL27515510 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL13524347 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6168801 0.77 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6014006 0.77 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6733205 0.77 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6739881 0.76 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6722256 0.76 PTGS2 (0.46) 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-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed