Avosentan

Avosentan

SCHEMBL2742679

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EDNRA

The experimentally established mechanism targets of Avosentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA known ✓ P25101 20/20 1.00
EDNRB P24530 16/20 1.00

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
Avosentan SCHEMBL29379732 1.00 EDNRA (1.00) EDNRAEDNRB
Avosentan SCHEMBL13391096 0.95 EDNRA (0.91) EDNRAEDNRB
Avosentan SCHEMBL13391134 0.95 EDNRA (0.91) EDNRAEDNRB
SCHEMBL14387345 0.94 EDNRA (0.88) EDNRAEDNRB
Avosentan SCHEMBL13391106 0.93 EDNRA (0.86) EDNRAEDNRB
SCHEMBL13391059 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL25637066 0.91 EDNRA (0.84) EDNRAEDNRB
SCHEMBL2669624 0.91 EDNRA (0.84) EDNRAEDNRB
SCHEMBL7194130 0.91 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6786069 0.90 EDNRA (0.82) 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 373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169365-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF ITCH Westfälische Wilhelms-Universität Münster (DE) 2017-05-24 EP claimed
WO-2015169884-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF ITCH WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-11-12 WO claimed
US-20100160358-A1 Pyridylsulfonamidyl-Pyrimidines for the Prevention of Blood Vessel Graft Failure SPEEDEL PHARMA AG (CH) 2010-06-24 US claimed
EP-1601361-B1 PYRIDYLSULFONAMIDO PYRIMIDINES FOR TREATING DIABETIC NEPHROPATHY SPEEDEL PHARMA AG (CH) 2008-05-14 EP claimed
EP-1185525-B1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-02-07 EP claimed
US-20060094731-A1 New medicament SPEEDEL PHARMA AG (CH) 2006-05-04 US claimed
EP-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 EP disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
EP-3169365-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF ITCH Westfälische Wilhelms-Universität Münster (DE) 2017-05-24 EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2203416-B1 (CARBOXY ALKYLENE-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2144885-B1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2016-06-29 EP disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039174-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-20060094731-A1 New medicament SPEEDEL PHARMA AG (CH) 2006-05-04 US disclosed
WO-2005113543-A1 CRYSTALLINE FORMS OF A PYRIDINYL-SULFONAMIDE AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS SPEEDEL PHARMA AG (CH) 2005-12-01 WO 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

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

For each of this compound's patents that has machine-readable text (2 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-20060094731-A1 New medicament REN, SLC5A1, GLS EDNRA 164/4885EDNRB 279/4885
US-20100160358-A1 Pyridylsulfonamidyl-Pyrimidines for the Prevention of Blood Vessel Graft Failure PDXK, CBS, C1S EDNRA 395/4885EDNRB 137/4885

“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.