SCHEMBL7002352

SCHEMBL7002352

Cc1cc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)ccc1S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.45
PTGS1 P23219 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 2/20 0.32
ALDH1A1 P00352 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL6999947 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6999265 0.90 PTGS2 (0.53) PTGS2PTGS1PGR
SCHEMBL6999166 0.89 PTGS2 (0.39) PTGS2PTGS1PGR
SCHEMBL7003155 0.88 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL6997021 0.88 PTGS2 (0.43) PTGS2PTGS1PGREPAS1
SCHEMBL6999183 0.85 PTGS2 (0.42) PTGS2PTGS1L3MBTL1ALDH1A1
SCHEMBL6995425 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL3228803 0.82 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL6998609 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6995550 0.81 PTGS2 (0.38) 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 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