SCHEMBL6995345

SCHEMBL6995345

CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2ccc(F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.41
PTGS1 P23219 11/20 0.41
BRD4 O60885 1/20 0.37
BRAF P15056 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL7003155 0.92 PTGS2 (0.43) PTGS2PTGS1BRD4BRAFPIK3CD
SCHEMBL6998000 0.90 PTGS2 (0.42) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6997983 0.89 PTGS2 (0.38) PTGS2PTGS1BRD4BRAF
SCHEMBL6995110 0.89 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6993381 0.89 PTGS2 (0.51) PTGS2PTGS1BRD4BRAF
SCHEMBL6996451 0.88 PTGS2 (0.44) PTGS2PTGS1BRAF
SCHEMBL6998609 0.88 PTGS2 (0.43) PTGS2PTGS1BRD4BRAFPIK3CD
SCHEMBL7001382 0.88 BRAF (0.42) PTGS2PTGS1BRD4BRAF
SCHEMBL6999308 0.88 BRAF (0.42) PTGS2PTGS1BRD4BRAF
SCHEMBL6998920 0.86 PTGS2 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed