Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ASPH | Q12797 | 1/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4424022 | 0.78 | CA1 (0.55) | CYP3A4KDM4EALDH1A1CASP1ACMSD | |
| SCHEMBL4425404 | 0.77 | CES2 (0.43) | CES2CES1SMN1; SMN2 | |
| SCHEMBL3920045 | 0.77 | ALDH1A1 (0.57) | KDM4EMRGPRX4LMNAALDH1A1TP53 | |
| SCHEMBL10261850 | 0.77 | MCL1 (0.40) | KDM4ELMNAALDH1A1TSHR | |
| SCHEMBL3926817 | 0.75 | CES2 (0.41) | CES2CES1SMN1; SMN2 | |
| SCHEMBL19743221 | 0.74 | MEN1 (0.36) | ALDH1A1ALOX15 | |
| SCHEMBL4422403 | 0.73 | EPHX2 (0.38) | KDM4EAKR1C2AKR1C1ALDH1A1FABP4 | |
| SCHEMBL115334 | 0.73 | CES2 (0.71) | CYP3A4CES2CES1KDM4EASPH | |
| SCHEMBL8105141 | 0.72 | SLC2A1 (0.41) | KDM4ELMNAALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL24628681 | 0.72 | MAOB (0.42) | CYP3A4CES2CES1ALDH1A1TSHR |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| EP-2131843-B1 | PROCESS FOR THE SYNTHESIS OF GLYT-1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-11-09 | — | — | EP | disclosed |
| CN-101119968-B | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| US-7812161-B2 | Reacting 5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoic acid with 1-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazine producing [4-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone | HOFFMAN-LA ROCHE INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-7812161-B2 | Reacting 5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoic acid with 1-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazine producing [4-(3-fluoro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone | HOFFMAN-LA ROCHE INC. (US) | 2010-10-12 | — | — | US | disclosed |
| EP-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| WO-2008107334-A2 | PROCESS FOR THE SYNTHESIS OF GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |
| US-20080221327-A1 | SYNTHESIS OF GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-11 | — | — | US | disclosed |
| US-20080221327-A1 | SYNTHESIS OF GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-11 | — | — | US | disclosed |
| CN-101119968-A | Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-02-06 | — | — | CN | disclosed |
| EP-1848694-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F. Hoffmann-Roche AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006082001-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| WO-2006082001-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | HOFFMANN-LA ROCHE INC. | 2006-08-10 | — | — | US | 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 (3 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-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | CYP2B6, CYP2D6, CYP1A2 | CYP3A4 8/4885CES2 2259/4885CES1 1042/4885 |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | CYP2B6, CYP2D6, CYP1A2 | CYP3A4 8/4885CES2 2259/4885CES1 1042/4885 |
| US-20080221327-A1 | SYNTHESIS OF GLYT-1 INHIBITORS | GLRA1, SULT2A1, SLC5A1 | CYP3A4 165/4885CES2 884/4885CES1 77/4885 |
“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.