SCHEMBL6786069

SCHEMBL6786069

COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cn1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.82
EDNRB P24530 16/20 0.82

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
SCHEMBL6784469 0.91 EDNRA (0.71) EDNRAEDNRB
Avosentan SCHEMBL29379732 0.90 EDNRA (1.00) EDNRAEDNRB
Avosentan SCHEMBL2742679 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5035301 0.90 EDNRA (0.66) EDNRAEDNRB
SCHEMBL5208403 0.89 EDNRA (0.82) EDNRAEDNRB
SCHEMBL5632074 0.88 EDNRA (0.64) EDNRAEDNRB
SCHEMBL5499789 0.88 EDNRA (0.63) EDNRAEDNRB
SCHEMBL6784030 0.88 EDNRA (0.67) EDNRAEDNRB
Avosentan SCHEMBL13391134 0.88 EDNRA (0.91) EDNRAEDNRB
SCHEMBL6176379 0.87 EDNRA (0.62) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720322-B2 USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. ACTELION PHARAMCEUTICALS LTD. (CH) 2004-04-13 US disclosed
US-6596719-B1 Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the ACTELIO PHARMACEUTICALS LTD. (CH) 2003-07-22 US disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
US-6521631-B2 N-(6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4 -yl)) 5-isopropyl-pyridine-2-sulfonamide; treatment of disorders which are associated with abnormal vascular tone and endothelial dysfunction. HOFFMANN-LA ROCHE INC. 2003-02-18 US disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.