Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.66 |
| ▸ | POLB | P06746 | 3/20 | 0.65 |
| ▸ | CDC25B | P30305 | 2/20 | 0.62 |
| ▸ | CDC25A | P30304 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PRNP | P04156 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3949047 | 0.91 | PARP1 (0.57) | AKR1C3POLBCDC25BCDC25AHSD17B10 | |
| SCHEMBL3842568 | 0.87 | AKR1C3 (0.58) | AKR1C3POLBCDC25BCDC25AHSD17B10 | |
| SCHEMBL27339882 | 0.87 | AKR1C3 (0.79) | AKR1C3POLBCDC25BCDC25AHSD17B10 | |
| SCHEMBL21463006 | 0.84 | PARP1 (0.53) | POLBALDH1A1ATMMAPTHTT | |
| SCHEMBL2058538 | 0.83 | AKR1C3 (0.73) | AKR1C3POLBCDC25BCDC25AHSD17B10 | |
| SCHEMBL28919843 | 0.83 | AKR1C3 (0.49) | AKR1C3POLBALDH1A1MAPTPARP1 | |
| SCHEMBL40538 | 0.83 | ATM (0.71) | POLBALDH1A1ATMMAPTHTT | |
| SCHEMBL12704091 | 0.81 | MAPT (0.46) | AKR1C3POLBALDH1A1MAPTHTT | |
| SCHEMBL20546917 | 0.81 | RXFP1 (0.51) | POLBALDH1A1MAPTHTTPARP1 | |
| SCHEMBL16624705 | 0.81 | MAPT (0.65) | POLBHSD17B10ALDH1A1MAPTHTT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2345411-B1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-1896032-B1 | THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-2345411-A1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | Schering Corporation (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| WO-2006138265-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF | SCHERING CORPORATION (US) | 2006-12-28 | — | — | 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 (2 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-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | CTRL, BACE1, PRSS1 | AKR1C3 302/4885POLB 2059/4885CDC25B 3187/4885 |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | BACE1, CTSL, CPN1 | AKR1C3 1443/4885POLB 726/4885CDC25B 1765/4885 |
“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.