Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | RORC | P51449 | 3/20 | 0.63 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.56 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.56 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.56 |
| ▸ | MLYCD | O95822 | 3/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3434346 | 0.83 | SMN1; SMN2 (0.71) | SMN1; SMN2RORCPDK1PDK2PDK3 | |
| SCHEMBL20870704 | 0.82 | EPHX2 (0.70) | RORCEPHX2CA12CA1CA2 | |
| SCHEMBL2081375 | 0.81 | SMN1; SMN2 (1.00) | SMN1; SMN2RORCMLYCDEPHX2 | |
| SCHEMBL11626027 | 0.81 | SMN1; SMN2 (0.69) | SMN1; SMN2RORCMLYCDEPHX2 | |
| SCHEMBL22059620 | 0.79 | PDK1 (0.72) | SMN1; SMN2PDK1PDK2PDK3PDK4 | |
| SCHEMBL12334561 | 0.79 | SMN1; SMN2 (0.65) | SMN1; SMN2RORCMLYCDEPHX2NR1H4 | |
| SCHEMBL6843322 | 0.77 | SMN1; SMN2 (0.68) | SMN1; SMN2RORCMLYCDNR1H3 | |
| SCHEMBL5314168 | 0.77 | RORC (0.77) | SMN1; SMN2RORCMLYCDMAPTMEN1 | |
| SCHEMBL4880524 | 0.77 | RORC (1.00) | SMN1; SMN2RORCEPHX2MAPTMEN1 | |
| SCHEMBL4154196 | 0.77 | CA12 (0.56) | SMN1; SMN2EPHX2CA12CA1CA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011115892-A1 | MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS | GRIFFIN PATRICK R (US) | 2011-09-22 | — | — | WO | disclosed |
| US-7897815-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | DEHMLOW HENRIETTA | 2010-01-07 | — | — | US | disclosed |
| US-7608721-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2008-04-24 | — | — | US | disclosed |
| US-20070213377-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2007-09-13 | — | — | US | disclosed |
| US-7259178-B2 | Containing an oxazole ring, e.g., 1,1,1,3,3,3-Hexafluoro-2-{4-[[5-methyl-2-(3-trifluoromethyl-phenyl)-oxazol-4-ylmethyl]-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-propan-2-ol; the compounds bind to and selectively activate LXR alpha and LXR beta; used to treat diseases such as atherosclerosis and diabetes | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1763502-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |
| WO-2006000323-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | 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 (4 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-20070213377-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885PDK1 1443/4885 |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885PDK1 1443/4885 |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885PDK1 1443/4885 |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885PDK1 1443/4885 |
“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.