SCHEMBL6999977

SCHEMBL6999977

COc1ccccc1C1=C(c2ccc(S(N)(=O)=O)cc2)OC(C)(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.51
CA9 Q16790 5/20 0.51
PTGS2 P35354 11/20 0.46
PTGS1 P23219 5/20 0.46
CA1 P00915 5/20 0.44
CA12 O43570 2/20 0.44
DRD1 P21728 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7001592 0.89 PTGS2 (0.50) PTGS2PTGS1DRD1
SCHEMBL6999284 0.85 CA1 (0.58) CA2CA9PTGS2PTGS1CA1
SCHEMBL6997747 0.85 PTGS2 (0.47) CA2CA9PTGS2PTGS1CA1
SCHEMBL7000143 0.83 PTGS2 (0.46) CA2CA9PTGS2PTGS1CA1
SCHEMBL6992994 0.83 PTGS2 (0.42) CA2CA9PTGS2PTGS1CA1
SCHEMBL6998922 0.82 PTGS2 (0.51) CA2CA9PTGS2PTGS1CA1
SCHEMBL6993170 0.81 CA1 (0.60) CA2CA9PTGS2PTGS1CA1
SCHEMBL6996908 0.81 CA1 (0.56) CA2CA9PTGS2PTGS1CA1
SCHEMBL7002002 0.81 PTGS2 (0.56) CA2CA9PTGS2PTGS1CA1
SCHEMBL7000979 0.80 PTGS2 (0.48) CA2CA9PTGS2PTGS1CA1

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 6 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
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