Sugi Predict

Sugi Predict / Compounds / SCHEMBL7795452

SCHEMBL7795452

SCHEMBL7795452

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC

nearest known ligand 0.93

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.93
▸ EDNRB P24530 15/20 0.93
▸ ABCC3 O15438 1/20 0.90
▸ ABCC4 O15439 1/20 0.90
▸ NR1I2 O75469 1/20 0.90
▸ ABCB11 O95342 1/20 0.90
▸ DHPS P49366 1/20 0.90
▸ NR1H3 Q13133 1/20 0.90
▸ NR1I3 Q14994 1/20 0.90

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
SCHEMBL5682394 0.97 EDNRA (0.87) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL15257223 0.96 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7787008 0.96 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7795460 0.95 EDNRA (0.97) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL4218 0.95 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL902870 0.95 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5493152 0.95 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL3981779 0.95 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL914078 0.95 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4NR1I2
Bosentan SCHEMBL29485039 0.95 EDNRA (1.00) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603497-B1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA P LTD (IN) 2018-08-08 — — EP disclosed
EP-2245018-B1 PROCESS FOR PREPARING BOSENTAN GENERICS UK LTD (GB) 2017-08-30 — — EP disclosed
US-9296705-B2 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2(2-pyrimidinyl)-pyrimidine-4-yl)-benzen esulfonamide sodium DAVULURI RAMAMOHAN RAO (IN) 2016-03-29 — — US disclosed
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 — — US disclosed
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 — — US disclosed
US-20150232430-A1 4-TERT-BUTYL-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2(2-PYRIMIDINYL)-PYRIMIDINE-4-YL)-BENZEN ESULFONAMIDE SODIUM Rao, Davuluri Ramamohan (IN) 2015-08-20 — — 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-8933226-B2 Process for preparing Bosentan monohydrate and it's intermediates ZACH SYSTEMS S.P.A. (IT) 2015-01-13 — — US disclosed
US-8785461-B2 Process for preparing bosentan GENERICS [UK] LIMITED (GB) 2014-07-22 — — US disclosed
US-8785461-B2 Process for preparing bosentan GENERICS [UK] LIMITED (GB) 2014-07-22 — — US disclosed
US-20110039871-A1 PROCESS FOR PREPARING BOSENTAN TIANISH LABORATORIES PRIVATE LIMITED (IN) 2011-02-17 — — US disclosed
US-20110021547-A1 Substantially Pure and a Stable Crystalline Form of Bosentan ACTAVIS GROUP PTC EHF (IS) 2011-01-27 — — US disclosed
US-20110021547-A1 Substantially Pure and a Stable Crystalline Form of Bosentan ACTAVIS GROUP PTC EHF (IS) 2011-01-27 — — US disclosed
US-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF GLENMARK (IN) 2010-10-07 — — US disclosed
US-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF GLENMARK (IN) 2010-10-07 — — US disclosed
US-20100249162-A1 PROCESS FOR THE INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN GENERICS [UK] LIMITED 2010-09-30 — — US disclosed
US-20100249162-A1 PROCESS FOR THE INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN GENERICS [UK] LIMITED 2010-09-30 — — US disclosed
WO-2009098517-A1 PROCESS FOR PREPARING BOSENTAN GENERICS [UK] LIMITED (GB) 2009-08-13 — — WO disclosed
WO-2009093127-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-07-30 — — WO disclosed
WO-2009004374-A1 PROCESS FOR INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN GENERICS [UK] LIMITED (GB) 2009-01-08 — — 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-20100256371-A1 PROCESSES FOR THE PREPARATION OF BOSENTAN AND ITS INTERMEDIATES THEREOF PTGIS, EDNRB, CYP11B2 EDNRA 6/4885EDNRB 2/4885ABCC3 2547/4885
US-20100249162-A1 PROCESS FOR THE INTRODUCTION OF HYDROXYETHOXY SIDE CHAIN IN BOSENTAN EDNRB, EDNRA, ECE2 EDNRA 2/4885EDNRB 1/4885ABCC3 2405/4885
US-20110039871-A1 PROCESS FOR PREPARING BOSENTAN EDNRA, EDNRB, PTGIR EDNRA 1/4885EDNRB 2/4885ABCC3 3197/4885
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-20150232430-A1 4-TERT-BUTYL-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2(2-PYRIMIDINYL)-PYRIMIDINE-4-YL)-BENZEN ESULFONAMIDE SODIUM EDNRB, ECE2, EDNRA EDNRA 3/4885EDNRB 1/4885ABCC3 1097/4885

“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.