Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 3/20 | 0.32 |
| ▸ | BACE1 | P56817 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623023 | 1.00 | CYP2C19 (0.33) | CYP2C19PTGS2CTSDBACE1 | |
| SCHEMBL4906884 | 0.93 | CTSS (0.33) | CYP2C19 | |
| SCHEMBL4622124 | 0.77 | CTSS (0.37) | CYP2C19 | |
| SCHEMBL4622121 | 0.77 | CTSS (0.37) | CYP2C19 | |
| SCHEMBL3197174 | 0.74 | — | — | |
| SCHEMBL3184869 | 0.74 | — | — | |
| SCHEMBL4877052 | 0.71 | BACE1 (0.32) | BACE1 | |
| SCHEMBL4877037 | 0.69 | BACE1 (0.31) | BACE1 | |
| SCHEMBL5241265 | 0.69 | BACE1 (0.31) | BACE1 | |
| SCHEMBL6827352 | 0.64 | CTSK (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080070885-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2008-03-20 | — | — | US | disclosed |
| EP-1654241-B1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2008-03-19 | — | — | EP | disclosed |
| US-20060223745-A1 | Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof | BETSCHART CLAUDIA | 2006-10-05 | — | — | US | disclosed |
| EP-1654241-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | Novartis AG (CH) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005003106-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2005-01-13 | — | — | 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-20060223745-A1 | Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof | BACE1, APP, ACE | CYP2C19 2248/4885PTGS2 1908/4885CTSD 103/4885 |
| US-20080070885-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | BACE1, APP, BACE2 | CYP2C19 2794/4885PTGS2 1824/4885CTSD 90/4885 |
“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.