Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2896328 | 0.89 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL2970174 | 0.88 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL2895838 | 0.87 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL3420876 | 0.86 | MAPK10 (0.48) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL3423237 | 0.85 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL3419042 | 0.84 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL3417572 | 0.84 | LMNA (0.47) | ALDH1A1LMNAMAPTTP53ALOX15 | |
| SCHEMBL2960578 | 0.83 | KMT2A (0.43) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL2960581 | 0.83 | KMT2A (0.43) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL2971026 | 0.83 | ALDH1A1 (0.51) | ALDH1A1LMNAMAPTTP53ALOX15 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097387-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-05-04 | — | — | EP | disclosed |
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-7763609-B2 | 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 (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763728-B2 | Tetrahydropyridothiophenes | 4SC AG (DE) | 2010-07-27 | — | — | US | disclosed |
| US-7741488-B2 | Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer | 4SC AG (DE) | 2010-06-22 | — | — | US | disclosed |
| US-20090257977-A1 | NOVEL TETRAHYDROPYRIDOTHIOPHENES | PEKARI KLAUS | 2009-10-15 | — | — | US | disclosed |
| US-20090252706-A1 | Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer | PEKARI KLAUS | 2009-10-08 | — | — | US | disclosed |
| US-20090098133-A1 | Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer | ALTANA PHARMA AG (DE) | 2009-04-16 | — | — | US | disclosed |
| US-20080260749-A1 | Novel Tetrahydropyridothiophenes | NYCOMED GMBH (DE) | 2008-10-23 | — | — | 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 |
| EP-1893618-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| EP-1851230-A1 | TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006125815-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |
| WO-2006084904-A1 | TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-08-17 | — | — | 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 (9 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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | ALDH1A1 4505/4885LMNA 2420/4885MAPT 169/4885 |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | ALDH1A1 3943/4885LMNA 1624/4885MAPT 97/4885 |
| US-20090257977-A1 | NOVEL TETRAHYDROPYRIDOTHIOPHENES | BAX, BCL2, CCAR2 | ALDH1A1 632/4885LMNA 4066/4885MAPT 1166/4885 |
| US-20090252706-A1 | Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer | RAB1A, RAB7A, RAB35 | ALDH1A1 1497/4885LMNA 4526/4885MAPT 3736/4885 |
| US-20080260749-A1 | Novel Tetrahydropyridothiophenes | BAX, BCL2, CCAR2 | ALDH1A1 615/4885LMNA 3874/4885MAPT 1276/4885 |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | ALDH1A1 3943/4885LMNA 1624/4885MAPT 97/4885 |
| 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 | ALDH1A1 4571/4885LMNA 1236/4885MAPT 275/4885 |
| US-20090098133-A1 | Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer | MKI67, BCL2, BAX | ALDH1A1 576/4885LMNA 4080/4885MAPT 2223/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | ALDH1A1 3943/4885LMNA 1624/4885MAPT 97/4885 |
“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.