SCHEMBL617288

SCHEMBL617288

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.72
EDNRB P24530 13/20 0.72
ABCC3 O15438 1/20 0.72
ABCC4 O15439 1/20 0.72
NR1I2 O75469 1/20 0.72
ABCB11 O95342 1/20 0.72
DHPS P49366 1/20 0.72
NR1H3 Q13133 1/20 0.72
NR1I3 Q14994 1/20 0.72

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
SCHEMBL29770411 1.00 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL625550 0.99 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5686011 0.99 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL3232307 0.94 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13430582 0.94 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1938981 0.93 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7293756 0.92 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7305726 0.91 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1259727 0.90 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7694756 0.90 EDNRA (0.59) 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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN claimed
EP-2621909-B1 PROCESS FOR PREPARING BOSENTAN MONOHYDRATE AND ITS INTERMEDIATES ZACH SYSTEM SPA (IT) 2018-12-19 EP claimed
EP-2406235-B1 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S R L (IT) 2016-08-10 EP claimed
US-9233936-B2 Process for the preparation of bosentan SIFAVITOR S.R.L. (IT) 2016-01-12 US claimed
WO-2014104904-A1 PROCESS FOR PREPARATION OF BOSENTAN MONOHYDRATE OF PHARMACEUTICAL PURITY INSTYTUT FARMACEUTYCZNY (PL) 2014-07-03 WO claimed
US-8664390-B2 Process for the introduction of hydroxyethoxy side chain in bosentan GENERICS (UK) LIMITED (GB) 2014-03-04 US claimed
WO-2013186706-A1 PROCESS FOR THE PREPARATION OF BOSENTAN CADILA PHARMACEUTICALS LTD (IN) 2013-12-19 WO claimed
US-8481730-B2 Method of synthesis of Bosentan, its polymorphic forms and its salts CIPLA LIMITED (IN) 2013-07-09 US claimed
US-20120041200-A1 PROCESS FOR THE PREPARATION OF BOSENTAN SIFAVITOR S.R.L. (IT) 2012-02-16 US claimed
WO-2011021216-A2 IMPROVED PROCESS FOR THE PREPARATION OF 4-(1,1-DIMETHYLETHYL)-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)[2,2'-BIPYRIMIDIN]-4-YL]BENZENESULFONAMIDE MSN LABORATORIES LIMITED (IN) 2011-02-24 WO claimed
EP-2240469-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN Actavis Group PTC EHF (IS) 2010-10-20 EP claimed
EP-2238118-A1 METHOD OF SYNTHESIS OF BOSENTAN, ITS POLYMORPHIC FORMS AND ITS SALTS Cipla Limited (IN) 2010-10-13 EP claimed
US-20100249162-A1 PROCESS FOR THE INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN GENERICS [UK] LIMITED 2010-09-30 US claimed
EP-2170841-A1 PROCESS FOR INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN Merck Generics (UK) Limited (GB) 2010-04-07 EP claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
WO-2009093127-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-07-30 WO claimed
WO-2009083739-A1 METHOD OF SYNTHESIS OF BOSENTAN, ITS POLYMORPHIC FORMS AND ITS SALTS CIPLA LIMITED (IN) 2009-07-09 WO claimed
WO-2009004374-A1 PROCESS FOR INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN GENERICS [UK] LIMITED (GB) 2009-01-08 WO claimed
US-6720322-B2 USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. ACTELION PHARAMCEUTICALS LTD. (CH) 2004-04-13 US claimed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US claimed

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-20100249162-A1 PROCESS FOR THE INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN EDNRB, EDNRA, ECE2 EDNRA 2/4885EDNRB 1/4885ABCC3 2405/4885
US-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA EDNRA 3/4885EDNRB 2/4885ABCC3 1351/4885
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.