Bosentan

Bosentan

SCHEMBL615991

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO.[KH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EDNRAEDNRB

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA known ✓ P25101 20/20 0.98
EDNRB known ✓ P24530 12/20 0.98
ABCC3 O15438 1/20 0.98
ABCC4 O15439 1/20 0.98
NR1I2 O75469 1/20 0.98
ABCB11 O95342 1/20 0.98
DHPS P49366 1/20 0.98
NR1H3 Q13133 1/20 0.98
NR1I3 Q14994 1/20 0.98

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
Bosentan SCHEMBL4218 0.99 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.99 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL902870 0.99 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL29485039 0.99 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL977683 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL2723442 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL628837 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL979668 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL617167 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL618415 0.98 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406235-B1 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S R L (IT) 2016-08-10 EP claimed
US-8716477-B2 Crystalline forms of bosentan salts and processes for their preparation RANBAXY LABORATORIES LIMITED (IN) 2014-05-06 US claimed
US-20130303762-A1 PROCESS FOR PREPARING BOSENTAN ALEMBIC PHARMACEUTICALS, LTD. (IN) 2013-11-14 US claimed
US-20130245259-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE NATCO PHARMA LIMITED (IN) 2013-09-19 US claimed
WO-2013136110-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE NATCO PHARMA LIMITED (IN) 2013-09-19 WO claimed
US-20120283440-A1 CRYSTALLINE FORMS OF BOSENTAN SALTS AND PROCESSES FOR THEIR PREPARATION RANBAXY LABORATORIES LIMITED (IN) 2012-11-08 US claimed
EP-2499131-A2 CRYSTALLINE FORMS OF BOSENTAN SALTS AND PROCESSES FOR THEIR PREPARATION Ranbaxy Laboratories Limited (IN) 2012-09-19 EP claimed
WO-2012073135-A1 AN IMPROVED PROCESS FOR PREPARING BOSENTAN ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-06-07 WO claimed
US-20120041200-A1 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S.R.L. (IT) 2012-02-16 US claimed
EP-2406235-A2 PROCESS FOR THE PREPARATION OF BOSENTAN Sifavitor S.r.l. (IT) 2012-01-18 EP claimed
WO-2011058524-A2 CRYSTALLINE FORMS OF BOSENTAN SALT AND PROCESSES FOR THEIR PREPARATION RANBAXY LABORATORIES LIMITED (IN) 2011-05-19 WO claimed
WO-2011024056-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF BOSENTAN AUROBINDO PHARMA LIMITED (IN) 2011-03-03 WO claimed
WO-2010103362-A2 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S.R.L. (IT) 2010-09-16 WO claimed
EP-2406235-B1 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S R L (IT) 2016-08-10 EP disclosed
CN-104016928-A Purifying method for bosentan salt and application thereof ZHEJIANG YONGNING PHARMA CO LTD 2014-09-03 CN disclosed
US-20140187569-A1 CRYSTALLINE FORMS OF BOSENTAN SALTS AND PROCESSES FOR THEIR PREPARATION RANBAXY LABORATORIES LIMITED (IN) 2014-07-03 US disclosed
WO-2011058524-A2 CRYSTALLINE FORMS OF BOSENTAN SALT AND PROCESSES FOR THEIR PREPARATION RANBAXY LABORATORIES LIMITED (IN) 2011-05-19 WO disclosed
WO-2011024056-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF BOSENTAN AUROBINDO PHARMA LIMITED (IN) 2011-03-03 WO disclosed
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 2010-10-20 EP disclosed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 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 (5 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-20130303762-A1 PROCESS FOR PREPARING BOSENTAN CMA1, ADRA1B, CYP4A11 EDNRA 14/4885EDNRB 7/4885ABCC3 3526/4885
US-20130245259-A1 PROCESS FOR THE PREPARATION OF BOSENTAN MONOHYDRATE VASP, EDNRB, PTGIR EDNRA 6/4885EDNRB 2/4885ABCC3 2501/4885
US-20120283440-A1 CRYSTALLINE FORMS OF BOSENTAN SALTS AND PROCESSES FOR THEIR PREPARATION REN, EDNRB, LPXN EDNRA 9/4885EDNRB 2/4885ABCC3 1494/4885
US-20140187569-A1 CRYSTALLINE FORMS OF BOSENTAN SALTS AND PROCESSES FOR THEIR PREPARATION REN, LPXN, VASP EDNRA 10/4885EDNRB 5/4885ABCC3 1982/4885
US-20120041200-A1 PROCESS FOR THE PREPARATION OF BOSENTAN EDNRB, BDKRB2, EDNRA EDNRA 3/4885EDNRB 1/4885ABCC3 3067/4885

“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.