SCHEMBL625550

SCHEMBL625550

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.[KH]

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.71
EDNRB P24530 13/20 0.71
ABCC3 O15438 1/20 0.71
ABCC4 O15439 1/20 0.71
NR1I2 O75469 1/20 0.71
ABCB11 O95342 1/20 0.71
DHPS P49366 1/20 0.71
NR1H3 Q13133 1/20 0.71
NR1I3 Q14994 1/20 0.71

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
SCHEMBL617288 0.99 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL29770411 0.99 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5686011 0.98 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13430582 0.93 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL3232307 0.93 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1938981 0.92 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7293756 0.91 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7305726 0.90 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1259727 0.89 EDNRA (0.69) EDNRAEDNRB
SCHEMBL9423905 0.89 EDNRA (0.70) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621909-B1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM SPA (IT) 2018-12-19 EP claimed
US-8933226-B2 Process for preparing Bosentan monohydrate and it's intermediates ZACH SYSTEMS S.P.A. (IT) 2015-01-13 US claimed
US-20130253195-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATED ZACH SYSTEM SPA (IT) 2013-09-26 US claimed
EP-2621909-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZaCh System S.p.A. (IT) 2013-08-07 EP claimed
WO-2012041764-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM S.P.A. (IT) 2012-04-05 WO claimed
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 2010-10-20 EP claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
EP-1254121-A1 PREPARATION OF SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-06 EP claimed
WO-2001055120-A1 PREPARATION OF SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-02 WO claimed
US-6136971-A Preparation of sulfonamides ROCHE COLORADO CORPORATION (US) 2000-10-24 US claimed
EP-2621909-B1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM SPA (IT) 2018-12-19 EP disclosed
EP-2603497-B1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA P LTD (IN) 2018-08-08 EP disclosed
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 US disclosed
US-8933226-B2 Process for preparing Bosentan monohydrate and it's intermediates ZACH SYSTEMS S.P.A. (IT) 2015-01-13 US disclosed
US-20130296560-A1 Novel Process For Preparation Of Bosentan MEGAFINE PHARMA (P) LTD. (IN) 2013-11-07 US disclosed
WO-2009047637-A1 NOVEL POLYMORPHS OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-04-16 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 (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-20130253195-A1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATED NCLN, EDNRB, BTD EDNRA 4/4885EDNRB 2/4885ABCC3 3079/4885
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.