Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 11/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28902407 | 0.84 | TP53 (0.41) | TP53FDPSCA1CA2EPHX1 | |
| SCHEMBL8897968 | 0.83 | TSHR (0.43) | FDPSFFAR1CPT2TDP1GGPS1 | |
| Sulfuric Acid SCHEMBL2558697 | 0.81 | SMPD1 (0.44) | TP53FDPSCA1CA2EPHX1 | |
| Sulfuric Acid SCHEMBL8915833 | 0.81 | DNM1 (0.44) | TP53FDPSEPHX1 | |
| SCHEMBL27781294 | 0.80 | TSHR (0.40) | FDPSFFAR1CPT2TDP1 | |
| Sulfuric Acid SCHEMBL5460746 | 0.78 | FDPS (0.43) | TP53FDPSGGPS1 | |
| SCHEMBL22877843 | 0.78 | FAAH (0.33) | TP53FDPSCA1CA2CA12 | |
| SCHEMBL28730778 | 0.78 | S1PR1 (0.43) | FDPSFFAR1CPT2TDP1CA1 | |
| SCHEMBL7091661 | 0.77 | TSHR (0.44) | FDPSFFAR1CPT2TDP1GGPS1 | |
| SCHEMBL598961 | 0.77 | TSHR (0.38) | FDPSFFAR1CPT2TDP1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6943189-B2 | Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG CO-A reductase inhibitors | G.D. SEARLE & CO. (US) | 2005-09-13 | — | — | US | disclosed |
| EP-0888333-B1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | SEARLE LLC (US) | 2005-08-31 | — | — | EP | disclosed |
| EP-1448546-A4 | NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE | SEARLE LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| US-20040204478-A1 | Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake | G.D. SEARLE & COMPANY | 2004-10-14 | — | — | US | disclosed |
| EP-1466911-A2 | Preparation of benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake | G.D. Searle & Co. (US) | 2004-10-13 | — | — | EP | disclosed |
| US-20040176438-A1 | Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake | G.D. SEARLE, LLC | 2004-09-09 | — | — | US | disclosed |
| US-6784201-B2 | FOR PROPHYLAXIS AND TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA | G.D. SEARLE & COMPANY | 2004-08-31 | — | — | US | disclosed |
| EP-1448546-A1 | NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE | G.D. Searle LLC (US) | 2004-08-25 | — | — | EP | disclosed |
| US-20040157915-A1 | Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors | G.D. SEARLE & CO. (US) | 2004-08-12 | — | — | US | disclosed |
| EP-1440972-A1 | Novel benzothiepines having pharmaceutical activity. | G.D. Searle & Co. (US) | 2004-07-28 | — | — | EP | disclosed |
| US-6262277-B1 | IN MEDICINE FOR PROPHYLAXIS AND THERAPY OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS | G.D. SEARLE AND COMPANY | 2001-07-17 | — | — | US | disclosed |
| EP-1091953-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. Searle & Co. (US) | 2001-04-18 | — | — | EP | disclosed |
| US-6107494-A | FOR TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS | G.D. SEARLE AND COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| WO-2000001687-A9 | BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | SEARLE & CO (US) | 2000-07-20 | — | — | WO | disclosed |
| EP-0971744-A2 | COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-01-19 | — | — | EP | disclosed |
| WO-2000001687-A1 | BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. SEARLE & CO. (US) | 2000-01-13 | — | — | WO | disclosed |
| US-5994391-A | HYPERLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS | G.D. SEARLE AND COMPANY (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0888333-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. Searle & Co. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998040375-A2 | COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-09-17 | — | — | WO | disclosed |
| WO-1997033882-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. SEARLE AND CO. (US) | 1997-09-18 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040204478-A1 | Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake | SLC10A2, SLC10A1, ABCB11 | TP53 4748/4885FDPS 733/4885FFAR1 966/4885 |
| US-20040157915-A1 | Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors | SLC10A2, SLC10A1, HMGCR | TP53 4783/4885FDPS 285/4885FFAR1 568/4885 |
| US-20040176438-A1 | Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake | SLC10A1, SLC10A2, ABCB11 | TP53 4464/4885FDPS 476/4885FFAR1 647/4885 |
“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.