Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | CTSB | P07858 | 3/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622124 | 1.00 | CTSS (0.37) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL4906884 | 0.87 | CTSS (0.33) | CTSSCTSKCTSBCTSLCYP2C19 | |
| SCHEMBL4881213 | 0.87 | CTSS (0.39) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL4881219 | 0.87 | CTSS (0.39) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL2532411 | 0.86 | CTSS (0.40) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL2532413 | 0.86 | CTSS (0.40) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL4042106 | 0.85 | ATM (0.48) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL5620023 | 0.85 | ATM (0.48) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL4042099 | 0.85 | ATM (0.48) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL5620017 | 0.85 | ATM (0.48) | CTSSCTSKCTSBCTSLATM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | NOVARTIS AG (CH) | 2008-06-05 | — | — | US | disclosed |
| 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 (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-20060223745-A1 | Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof | BACE1, APP, ACE | CTSS 45/4885CTSK 121/4885CTSB 93/4885 |
| US-20080132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | BACE1, BACE2, APP | CTSS 11/4885CTSK 60/4885CTSB 18/4885 |
| US-20080070885-A1 | MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF | BACE1, APP, BACE2 | CTSS 48/4885CTSK 114/4885CTSB 79/4885 |
“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.