Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.35 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL16617777 | 1.00 | HDAC4 (0.42) | HDAC4MLYCDCTSKKCNH2NR3C1 | |
| SCHEMBL16617516 | 0.91 | HDAC4 (0.40) | HDAC4MLYCDCTSKKCNH2NR3C1 | |
| SCHEMBL16637865 | 0.91 | HDAC4 (0.40) | HDAC4MLYCDCTSKKCNH2NR3C1 | |
| SCHEMBL16617284 | 0.87 | CTSK (0.47) | HDAC4CTSKNR3C1PGR | |
| SCHEMBL16618103 | 0.87 | CTSK (0.54) | HDAC4CTSKKCNH2NR3C1PGR | |
| SCHEMBL16617740 | 0.87 | CTSK (0.41) | HDAC4CTSKNR3C1PGR | |
| SCHEMBL16617297 | 0.85 | CTSK (0.40) | HDAC4CTSKNR3C1PGR | |
| SCHEMBL16626963 | 0.85 | CTSK (0.40) | HDAC4CTSKNR3C1PGRJAK2 | |
| SCHEMBL16626962 | 0.84 | CTSK (0.42) | HDAC4CTSKNR3C1PGRJAK2 | |
| SCHEMBL16617800 | 0.79 | CTSK (0.64) | HDAC4CTSKKCNH2NR3C1PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055314-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-09-12 | — | — | EP | disclosed |
| US-9458181-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-04-09 | — | — | US | 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-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | HDAC4 778/4885MLYCD 3042/4885CTSK 4/4885 |
“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.