SCHEMBL914078

SCHEMBL914078

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCC(C)(C)C

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.84
EDNRB P24530 14/20 0.84
ABCC3 O15438 1/20 0.84
ABCC4 O15439 1/20 0.84
NR1I2 O75469 1/20 0.84
ABCB11 O95342 1/20 0.84
DHPS P49366 1/20 0.84
NR1H3 Q13133 1/20 0.84
NR1I3 Q14994 1/20 0.84

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
SCHEMBL7795452 0.95 EDNRA (0.93) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7787008 0.92 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5682394 0.92 EDNRA (0.87) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL29485039 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL902870 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL4218 0.92 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5493152 0.92 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL628837 0.91 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL15257223 0.91 EDNRA (0.86) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 US disclosed
US-20130296560-A1 Novel Process For Preparation Of Bosentan MEGAFINE PHARMA (P) LTD. (IN) 2013-11-07 US disclosed
WO-2012056468-A1 A PROCESS FOR THE PREPARATION OF BOSENTAN MATRIX LABORATORIES LTD (IN) 2012-05-03 WO disclosed
US-20110021547-A1 Substantially Pure and a Stable Crystalline Form of Bosentan ACTAVIS GROUP PTC EHF (IS) 2011-01-27 US disclosed
US-20110014291-A1 Novel Polymorphs of Bosentan ACTAVIS GROUP PTC EHF (IS) 2011-01-20 US disclosed
EP-2268634-A2 PROCESSES FOR THE PREPARATION OF BOSENTAN AND RELATED COMPOUNDS USING NOVEL INTERMEDIATES Actavis Group PTC EHF (IS) 2011-01-05 EP disclosed
EP-2240469-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN Actavis Group PTC EHF (IS) 2010-10-20 EP disclosed
WO-2009112954-A2 PROCESSES FOR THE PREPARATION OF BOSENTAN AND RELATED COMPOUNDS USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2009-09-17 WO disclosed
WO-2009093127-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-07-30 WO disclosed
EP-1254121-B1 PREPARATION OF SULFONAMIDES HOFFMANN LA ROCHE (CH) 2006-02-01 EP disclosed
EP-1254121-A1 PREPARATION OF SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-06 EP disclosed
WO-2001055120-A1 PREPARATION OF SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-02 WO disclosed
US-6136971-A Preparation of sulfonamides ROCHE COLORADO CORPORATION (US) 2000-10-24 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 (3 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-20110014291-A1 Novel Polymorphs of Bosentan VASP, EDNRB, ADRA1B EDNRA 14/4885EDNRB 2/4885ABCC3 835/4885
US-20110021547-A1 Substantially Pure and a Stable Crystalline Form of Bosentan H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCLN, F5 EDNRA 29/4885EDNRB 8/4885ABCC3 2066/4885
US-20130296560-A1 Novel Process For Preparation Of Bosentan BMP6, EDNRB, PAH EDNRA 9/4885EDNRB 2/4885ABCC3 4078/4885

“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.