SCHEMBL6997285

SCHEMBL6997285

C[S+]([O-])c1ccc(C2=C(c3cccc(F)c3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 5/20 0.47
PGR P06401 5/20 0.43
TNKS2 Q9H2K2 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL21427723 0.91 PTGS2 (0.46) PTGS2PTGS1PGRTNKS2
SCHEMBL6999796 0.89 PTGS2 (0.39) PTGS2PTGS1PGR
SCHEMBL6996081 0.86 PTGS2 (0.44) PTGS2PTGS1PGRTNKS2PDE3B
SCHEMBL6991869 0.86 PTGS2 (0.44) PTGS2PTGS1PGRTNKS2PDE3B
SCHEMBL7000370 0.86 PTGS2 (0.42) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL6996376 0.86 PTGS2 (0.38) PTGS2PTGS1PGR
SCHEMBL6997590 0.85 PGR (0.43) PTGS2PTGS1PGR
SCHEMBL7003700 0.85 PGR (0.37) PTGS2PTGS1PGR
SCHEMBL6997258 0.84 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6992436 0.84 PTGS2 (0.43) PTGS2PTGS1PGR

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 10 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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