SCHEMBL7002958

SCHEMBL7002958

CC(=O)Nc1ccc(C2=C(c3ccc(S(N)(=O)=O)c(F)c3)OC(C)(C)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
CA1 P00915 6/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CA7 P43166 3/20 0.39
CA4 P22748 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7000308 0.91 PIK3CD (0.47) KMT2APOLBMAPTPIK3CDPIK3CA
SCHEMBL6999336 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6998318 0.84 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6997334 0.84 PTGS2 (0.41) CA2CA1CA9CA12PTGS2
SCHEMBL7003332 0.83 PTGS2 (0.41) CA2CA1CA9CA12PTGS2
SCHEMBL7004172 0.83 CA1 (0.58) CA2CA1CA9CA12KMT2A
SCHEMBL3223651 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6998753 0.82 PTGS2 (0.36) KMT2APOLBMAPTPTGS2ALDH1A1
SCHEMBL3228803 0.82 PTGS2 (0.44) CA2CA1CA9CA12PTGS2
SCHEMBL7002390 0.81 PTGS2 (0.45) KMT2APOLBMAPTPTGS2ALDH1A1

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