SCHEMBL6997943

SCHEMBL6997943

CCC1(CC)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(C(C)=O)cc2Cl)C1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.45
PTGS1 P23219 3/20 0.38
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 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
SCHEMBL6999618 0.88 SLC6A9 (0.39) PTGS2PTGS1
SCHEMBL6998226 0.85 PTGS2 (0.44) PTGS2PTGS1MMP2MMP9MMP8
SCHEMBL7001596 0.82 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6996939 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7001185 0.77 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6997781 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6994382 0.76 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6996531 0.76 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6996596 0.75 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7000326 0.74 PTGS2 (0.49) 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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed