SCHEMBL6995368

SCHEMBL6995368

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cccc(Cl)c2)C1=S

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.38
PTGS2 P35354 7/20 0.38
PTGS1 P23219 4/20 0.38
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 3/20 0.36
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL6994710 0.91 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL6998443 0.88 PTGS2 (0.41) PGRPTGS2PTGS1RAB9AKMT2A
SCHEMBL6999531 0.83 PTGS2 (0.41) PGRPTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6993421 0.81 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL6994557 0.81 PGR (0.40) PGR
SCHEMBL6995655 0.79 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL6999980 0.77 PGR (0.40) PGRPTGS2PTGS1RAB9AKMT2A
SCHEMBL6997576 0.77 PTGS2 (0.53) PGRPTGS2PTGS1
SCHEMBL7001857 0.77 PTGS2 (0.40) PGRPTGS2PTGS1CCR2PIK3CD
SCHEMBL7002751 0.76 PTGS2 (0.47) PGRPTGS2PTGS1PIK3CDPIK3CA

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