SCHEMBL622949

SCHEMBL622949

CCCCc1ccccc1S(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.51
EDNRB P24530 9/20 0.51
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
DHPS P49366 1/20 0.49
NR1H3 Q13133 1/20 0.49
NR1I3 Q14994 1/20 0.49

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
SCHEMBL3417934 0.89 EDNRA (0.54) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7935994 0.87 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1723227 0.85 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL20450343 0.85 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7872328 0.83 EDNRA (0.54) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL14289227 0.83 EDNRA (0.64) EDNRAEDNRB
SCHEMBL14380593 0.83 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7851861 0.82 EDNRA (0.49) EDNRAEDNRB
SCHEMBL1259727 0.82 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7842038 0.81 EDNRA (0.56) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 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
EP-2205591-A1 NOVEL POLYMORPHS OF BOSENTAN Actavis Group PTC EHF (IS) 2010-07-14 EP claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 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-2009047637-A1 NOVEL POLYMORPHS OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-04-16 WO claimed
EP-2603497-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN Megafine Pharma (P) Ltd. (IN) 2013-06-19 EP disclosed
WO-2012020421-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA (P) LTD. (IN) 2012-02-16 WO disclosed
EP-2240469-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN Actavis Group PTC EHF (IS) 2010-10-20 EP disclosed
US-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF GLENMARK (IN) 2010-10-07 US disclosed
WO-2009093127-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-07-30 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 (1 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-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF PTGIS, EDNRB, CYP11B2 EDNRA 6/4885EDNRB 2/4885ABCC3 2547/4885

“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.