SCHEMBL5570083

SCHEMBL5570083

CS(=O)(=O)c1ccc(Oc2[c]ccc(F)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.47
PTGS1 P23219 8/20 0.47
EPAS1 Q99814 3/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3929611 0.80 EPAS1 (0.45) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL2395063 0.78 PTGS2 (0.44) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL3929614 0.78 EPAS1 (0.44) PTGS2PTGS1EPAS1ALDH1A1SLC6A4
SCHEMBL4637513 0.74 PTGS2 (0.43) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL1333674 0.73 PTGDR2 (0.58)
SCHEMBL2397557 0.73 CHRM1 (0.51) PTGS2SLC6A4
SCHEMBL4637412 0.72 PTGS2 (0.43) PTGS2PTGS1EPAS1SMN1; SMN2
SCHEMBL3930206 0.72 PTGS2 (0.50) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL1333655 0.72 PPARA (0.46) PTGS2EPAS1SLC6A4
SCHEMBL3930211 0.71 PTGS2 (0.49) PTGS2PTGS1EPAS1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 WO claimed
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 WO disclosed