Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6956638 | 0.86 | NR1H2 (0.42) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL17320490 | 0.86 | USP2 (0.40) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL12074148 | 0.85 | PDK4 (0.47) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL38665539 | 0.85 | ESR2 (0.43) | USP2SMN1; SMN2ESR2NR1H2MAPK1 | |
| SCHEMBL7987528 | 0.84 | NR1H2 (0.41) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL16086814 | 0.84 | FAAH (0.43) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL10305538 | 0.84 | USP2 (0.39) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL29120639 | 0.83 | PDK4 (0.40) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL22468365 | 0.82 | NR1H2 (0.39) | USP2SMN1; SMN2ESR2PDK4NR1H2 | |
| SCHEMBL6952329 | 0.81 | ESR2 (0.39) | USP2SMN1; SMN2ESR2PDK4NR1H2 |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9416108-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| US-9416108-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| EP-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | US | disclosed |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | US | disclosed |
| US-8937093-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-01-20 | — | — | US | disclosed |
| US-8937093-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-01-20 | — | — | US | disclosed |
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-7592348-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592348-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| US-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | SCHERING CORPORATION | 2007-03-29 | — | — | US | disclosed |
| US-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | SCHERING CORPORATION | 2007-03-29 | — | — | US | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | 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 (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-20070072852-A1 | 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents | CTSD, PRSS1, CTSZ | USP2 2761/4885SMN1; SMN2 443/4885ESR2 3581/4885 |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | CTSZ, CTSL, PRSS1 | USP2 2205/4885SMN1; SMN2 740/4885ESR2 2979/4885 |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PRSS1, BCHE, CTSZ | USP2 1431/4885SMN1; SMN2 1186/4885ESR2 2537/4885 |
“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.