SCHEMBL7001072

SCHEMBL7001072

CCC1(CC)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cc(Cl)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.41
ELANE P08246 1/20 0.41
PTGS1 P23219 5/20 0.41
KIF11 P52732 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
SCHEMBL7001189 0.89 PTGS2 (0.41) PTGS2ELANEPTGS1
SCHEMBL6993465 0.89 PTGS1 (0.47) PTGS2PTGS1KIF11
SCHEMBL6994915 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995322 0.86 PTGS2 (0.43) PTGS2ELANEPTGS1KIF11
SCHEMBL7002416 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6994268 0.85 PTGS2 (0.46) PTGS2ELANEPTGS1
SCHEMBL7001185 0.82 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6996596 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6997781 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6993183 0.80 PTGS2 (0.53) PTGS2PTGS1

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 4 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