Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.90 |
| ▸ | CTSB | P07858 | 1/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL995642 | 1.00 | CTSS (0.90) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL995640 | 1.00 | CTSS (0.90) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL10156630 | 1.00 | CTSS (0.90) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL1103645 | 1.00 | CTSS (0.90) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL25465130 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL18697017 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL18537915 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL6876363 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL25465866 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C | |
| Simeprevir SCHEMBL826061 | 0.95 | CTSS (1.00) | CTSSCTSBADRB3ADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-9856265-B2 | Macrocyclic inhibitors of hepatitis C virus | JANSSEN SCIENCES IRELAND UC (IE) | 2018-01-02 | — | — | US | disclosed |
| US-20170226111-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-08-10 | — | — | US | disclosed |
| EP-1912999-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-01-05 | — | — | EP | 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-20170226111-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | CYP2A7, CYP3A7, HCCS | CTSS 1949/4885CTSB 3370/4885ADRB3 2852/4885 |
“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.