Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 5/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3592585 | 1.00 | CA12 (0.48) | CA12CA1CA7CA14ATM | |
| SCHEMBL8284888 | 0.85 | CA12 (0.45) | CA12CA1CA7CA14ATM | |
| SCHEMBL3601907 | 0.85 | CA12 (0.45) | CA12CA1CA7CA14ATM | |
| SCHEMBL3601905 | 0.85 | CA12 (0.45) | CA12CA1CA7CA14ATM | |
| SCHEMBL3601906 | 0.85 | CA12 (0.45) | CA12CA1CA7CA14ATM | |
| SCHEMBL3595349 | 0.83 | CYP3A4 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19CTSK | |
| SCHEMBL4028401 | 0.83 | CYP3A4 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19CTSK | |
| SCHEMBL25055960 | 0.82 | CA12 (0.45) | CA12CA1CA7CA14ATM | |
| SCHEMBL14266632 | 0.81 | ALDH1A1 (0.58) | CA12CA1CA7CA14ATM | |
| SCHEMBL9150280 | 0.81 | CYP2C19 (0.45) | CA12CA1CA7CA14ATM |
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-1740559-B1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-10-15 | — | — | EP | disclosed |
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| US-7847100-B2 | 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Inc. (US) | 2010-12-07 | — | — | US | disclosed |
| EP-1740559-A4 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-12-12 | — | — | EP | disclosed |
| CN-101061113-A | 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2007-10-24 | — | — | CN | disclosed |
| US-20070244119-A1 | 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LLC | 2007-10-18 | — | — | US | disclosed |
| CN-1942467-A | 2, 4, 6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |
| CN-1942457-A | 1,3, 5-substituted phenyl derivative compounds as beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |
| EP-1740559-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103020-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | 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-20070244119-A1 | 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | CA12 4153/4885CA1 915/4885CA7 3294/4885 |
“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.