Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | USP14 | P54578 | 1/20 | 0.41 |
| ▸ | UCHL5 | Q9Y5K5 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1872138 | 0.89 | CASP3 (0.39) | SRD5A2CASP3USP14UCHL5MAPT | |
| SCHEMBL22556898 | 0.85 | MAPT (0.39) | SRD5A2CASP3USP14UCHL5MAPT | |
| SCHEMBL1869807 | 0.83 | MAPT (0.45) | CASP3USP14UCHL5MAPTALDH1A1 | |
| SCHEMBL1863164 | 0.82 | CASP3 (0.47) | SRD5A2CASP3USP14UCHL5MAPT | |
| SCHEMBL1866587 | 0.77 | SRD5A2 (0.40) | SRD5A2CASP3USP14UCHL5MAPT | |
| SCHEMBL5347699 | 0.76 | ERN1 (0.53) | MAPTALDH1A1SMN1; SMN2LMNAGAA | |
| SCHEMBL22556714 | 0.75 | TSHR (0.47) | MAPTALDH1A1SMN1; SMN2LMNACYP2C9 | |
| SCHEMBL6822675 | 0.75 | CASP3 (0.41) | CASP3USP14UCHL5MAPTALDH1A1 | |
| SCHEMBL3579559 | 0.74 | ALDH1A1 (0.47) | MAPTALDH1A1SMN1; SMN2LMNAGAA | |
| SCHEMBL1870418 | 0.73 | MAPT (0.42) | MAPTALDH1A1GPR174SMN1; SMN2LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9108939-B2 | (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis | MERCK SHARP & DOHME B.V. (NL) | 2015-08-18 | — | — | US | disclosed |
| EP-2493855-B1 | (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis | MERCK SHARP & DOHME (NL) | 2014-02-26 | — | — | EP | disclosed |
| US-20120238574-A1 | (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | N.V. ORGANON (NL) | 2012-09-20 | — | — | US | disclosed |
| EP-2493855-A1 | (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | MSD Oss B.V. (NL) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051282-A1 | (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | N.V. ORGANON (NL) | 2011-05-05 | — | — | 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-20120238574-A1 | (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS | TGFB1, FPR1, TGFB2 | SRD5A2 194/4885CASP3 922/4885USP14 2366/4885 |
“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.