SCHEMBL6997334

SCHEMBL6997334

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 6/20 0.41
BRAF P15056 4/20 0.36
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL6999336 0.92 PTGS2 (0.50) PTGS2PTGS1BRAF
SCHEMBL7001761 0.91 L3MBTL1 (0.38) PTGS2PTGS1BRAF
SCHEMBL6998318 0.91 PTGS2 (0.41) PTGS2PTGS1BRAFALOX5APFEN1
SCHEMBL7003332 0.89 PTGS2 (0.41) PTGS2PTGS1BRAFCA12CA1
SCHEMBL3223651 0.89 PTGS2 (0.42) PTGS2PTGS1BRAF
SCHEMBL3228803 0.88 PTGS2 (0.44) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6996465 0.87 KIF11 (0.40) PTGS2PTGS1ALOX5APFEN1
SCHEMBL7002176 0.86 CA1 (0.40) PTGS2PTGS1BRAFCA12CA1
SCHEMBL3227515 0.85 PTGS2 (0.47) PTGS2PTGS1BRAF
SCHEMBL6995636 0.85 PTGS2 (0.39) 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