SCHEMBL5848767

SCHEMBL5848767

Cc1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CN(C3CC3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.52
PTGS1 P23219 17/20 0.52

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
SCHEMBL5848006 0.90 CA2 (0.46) PTGS2PTGS1
SCHEMBL5848467 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5847970 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5848703 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5850167 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5850039 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5850241 0.81 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5849698 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5848498 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5849700 0.80 PTGS2 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US claimed
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed