SCHEMBL6996795

SCHEMBL6996795

CSc1ccc(C2=C(c3ccsc3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.39
PTGS1 P23219 3/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GSK3B P49841 1/20 0.30

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
SCHEMBL6994402 0.81 PTGS2 (0.58) PTGS2PTGS1GSK3B
SCHEMBL6999317 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7002398 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6999996 0.78 PTGS2 (0.40) PTGS2PTGS1LPLLIPG
SCHEMBL6997397 0.77 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6995696 0.77 GSK3B (0.50) PTGS2PTGS1GSK3B
SCHEMBL6997348 0.76 GSK3B (0.53) PTGS2PTGS1GSK3B
SCHEMBL7002310 0.76 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6999809 0.75 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997433 0.74 PTGS2 (0.46) PTGS2PTGS1GSK3B

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-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