SCHEMBL6997793

SCHEMBL6997793

CC1(C)OC(c2ccc(S(N)(=O)=O)c(F)c2)=C(c2ccccc2F)C1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
PTGS1 P23219 3/20 0.40
BRAF P15056 4/20 0.39
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
PGR P06401 2/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 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
SCHEMBL6998777 0.90 BRAF (0.39) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL6995613 0.90 PTGS2 (0.40) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL6998318 0.88 PTGS2 (0.41) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL6999446 0.88 PTGS2 (0.37) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL6998598 0.88 PTGS2 (0.44) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL3228658 0.88 PTGS2 (0.44) PTGS2PTGS1BRAF
SCHEMBL6992604 0.87 PTGS2 (0.41) PTGS2PTGS1BRAF
SCHEMBL3223651 0.85 PTGS2 (0.42) PTGS2PTGS1BRAFPGR
SCHEMBL7000143 0.85 PTGS2 (0.46) PTGS2PTGS1BRAF
SCHEMBL6999336 0.85 PTGS2 (0.50) PTGS2PTGS1BRAF

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