Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL11083241 | 0.85 | L3MBTL1 (0.45) | GABRA1GABRG2GABRB3HTR2BHTR2A | |
| SCHEMBL22126011 | 0.73 | TNF (0.38) | ALDH1A1MAP3K5 | |
| SCHEMBL24185331 | 0.73 | MAP3K5 (0.40) | ALDH1A1MAPK1MAP3K5 | |
| SCHEMBL27035794 | 0.73 | JAK2 (0.38) | MAPK14MAPK13MAPK12MAPK11PRKCI | |
| SCHEMBL18725802 | 0.72 | HSD11B1 (0.42) | BRD4MEN1ALDH1A1KMT2AMAP3K5 | |
| SCHEMBL16827960 | 0.71 | RXFP1 (0.43) | MAPK14MAPK13MAPK12MAPK11HTR3A | |
| SCHEMBL14306963 | 0.71 | HTR6 (0.37) | HTR3AHTR2BHTR2AHTR2CHTR6 | |
| SCHEMBL24185389 | 0.71 | ALDH1A1 (0.39) | MEN1ALDH1A1MAPK1KMT2AMAP3K5 | |
| SCHEMBL16827835 | 0.69 | PDK2 (0.52) | — | |
| SCHEMBL16437178 | 0.69 | HSD11B1 (0.40) | BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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-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 |
| 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 |
| 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 |
| 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 | MAPKAPK2 523/4885BRD4 1449/4885MAPK14 1561/4885 |
“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.