Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.51 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16828023 | 1.00 | PDK2 (0.51) | PDK2PDK1PDK3PDK4 | |
| SCHEMBL16828047 | 0.87 | PDK2 (0.47) | PDK2 | |
| SCHEMBL16828050 | 0.87 | PDK2 (0.47) | PDK2 | |
| SCHEMBL18169256 | 0.84 | PDK2 (0.45) | PDK2 | |
| SCHEMBL18169255 | 0.84 | PDK2 (0.45) | PDK2 | |
| SCHEMBL16827943 | 0.83 | PDK2 (0.53) | PDK2 | |
| SCHEMBL16827945 | 0.83 | PDK2 (0.53) | PDK2 | |
| SCHEMBL16827828 | 0.82 | PDK2 (0.43) | PDK2 | |
| SCHEMBL16827830 | 0.82 | PDK2 (0.43) | PDK2 | |
| SCHEMBL16827753 | 0.81 | PDK2 (0.47) | PDK2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083591-B1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2018-01-03 | — | — | EP | claimed |
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | claimed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | US | claimed |
| EP-3083591-B1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2018-01-03 | — | — | EP | disclosed |
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | US | disclosed |
| EP-3083591-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | Merck Patent GmbH (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015090496-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 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-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | PDK1, PDK3, PDK2 | PDK2 3/4885PDK1 1/4885PDK3 2/4885 |
“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.