Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trifluoromethanesulfonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL6478953 | 0.96 | CA1 (0.44) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL164548 | 0.96 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8214511 | 0.92 | CA1 (0.41) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL25285896 | 0.88 | CA1 (0.44) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL25292546 | 0.88 | GPR3 (0.48) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL25301943 | 0.88 | CA1 (0.44) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL23430060 | 0.88 | CA1 (0.44) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL20570425 | 0.88 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1136415 | 0.88 | CA1 (0.44) | CA1CA2CA7CA13GPR3 | |
| Trifluoromethanesulfonic Acid SCHEMBL25255863 | 0.88 | CA1 (0.44) | CA1CA2CA7CA13GPR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082786-B1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME (US) | 2021-10-27 | — | — | EP | disclosed |
| US-9834563-B2 | Antidiabetic substituted heteroaryl compounds | MERCK SHARP & DOHME CORP. (US) | 2017-12-05 | — | — | US | disclosed |
| US-20170166578-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME LLC | 2017-06-15 | — | — | US | disclosed |
| EP-3082786-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015095256-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015089809-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | 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-20170166578-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | GPR119, GPR65, GPR55 | ACHE 3870/4885CA1 4839/4885CA2 2958/4885 |
“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.