Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bosentan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA known ✓ | P25101 | 20/20 | 0.98 |
| ▸ | EDNRB known ✓ | P24530 | 12/20 | 0.98 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.98 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.98 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.98 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.98 |
| ▸ | DHPS | P49366 | 1/20 | 0.98 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.98 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.98 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bosentan SCHEMBL4218 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL902870 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL3981779 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL29485039 | 0.99 | EDNRA (1.00) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL615991 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL979668 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL977683 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL617167 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL628837 | 0.98 | EDNRA (0.98) | EDNRAEDNRBABCC3ABCC4NR1I2 | |
| Bosentan SCHEMBL618415 | 0.98 | EDNRA (0.98) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012056468-A1 | A PROCESS FOR THE PREPARATION OF BOSENTAN | MATRIX LABORATORIES LTD (IN) | 2012-05-03 | — | — | WO | claimed |
| 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-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 |
| EP-2890694-A1 | 4-TERT-BUTYL-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2(2-PYRIMIDINYL)-PYRIMIDINE-4-YL)-BENZEN ESULFONAMIDE SODIUM | Rao, Davuluri Ramamohan (IN) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014033758-A1 | 4-TERT-BUTYL-N-[6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2(2-PYRIMIDINYL)-PYRIMIDINE-4-YL)-BENZEN ESULFONAMIDE SODIUM | RAO DAVULURI RAMAMOHAN (IN) | 2014-03-06 | — | — | WO | disclosed |
| WO-2012056468-A1 | A PROCESS FOR THE PREPARATION OF BOSENTAN | MATRIX LABORATORIES LTD (IN) | 2012-05-03 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| 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.