SCHEMBL5041577

SCHEMBL5041577

COc1ccccc1Oc1c(NS(=O)(=O)c2ncc(C)s2)nc(-c2cccc(OCC(=O)O)c2)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.49
EDNRB P24530 10/20 0.49
DHPS P49366 1/20 0.42

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
SCHEMBL5032727 0.94 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL5041483 0.86 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5036528 0.85 EDNRA (0.56) EDNRAEDNRB
SCHEMBL5036533 0.83 EDNRA (0.56) EDNRAEDNRB
SCHEMBL5036458 0.83 EDNRA (0.56) EDNRAEDNRBDHPS
SCHEMBL7888557 0.82 EDNRA (0.56) EDNRAEDNRB
SCHEMBL5204432 0.82 EDNRA (0.72) EDNRAEDNRB
SCHEMBL5039492 0.81 EDNRA (0.55) EDNRAEDNRBDHPS
SCHEMBL5041470 0.80 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5039294 0.80 EDNRA (0.69) EDNRAEDNRB

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-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1149091-A1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242601-B1 ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2001-06-05 US disclosed
WO-2000042035-A1 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-07-20 WO disclosed