SCHEMBL6999947

SCHEMBL6999947

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.45
PTGS1 P23219 10/20 0.40
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
BRAF P15056 1/20 0.35
BRD4 O60885 2/20 0.34

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
SCHEMBL6998609 0.91 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7002352 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997576 0.90 PTGS2 (0.53) PTGS2PTGS1BRAF
SCHEMBL3228803 0.89 PTGS2 (0.44) PTGS2PTGS1BRAFBRD4
SCHEMBL7002751 0.89 PTGS2 (0.47) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7003155 0.88 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6997021 0.88 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6992554 0.88 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7001857 0.87 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7001761 0.87 L3MBTL1 (0.38) 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