Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 4/20 | 0.46 |
| ▸ | KLK1 | P06870 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CPT2 | P23786 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.35 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.35 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.35 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.35 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.35 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044141 | 0.91 | KLKB1 (0.48) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5043868 | 0.88 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5039321 | 0.87 | KLKB1 (0.45) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5045879 | 0.86 | KLKB1 (0.44) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5043894 | 0.84 | KLKB1 (0.47) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5048580 | 0.82 | CHRM1 (0.44) | CNR1CNR2 | |
| SCHEMBL5044584 | 0.82 | KLKB1 (0.43) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL5044887 | 0.82 | KLKB1 (0.47) | KLKB1KLK1SMN1; SMN2 | |
| SCHEMBL5039559 | 0.82 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 | |
| SCHEMBL6069189 | 0.82 | KLKB1 (0.46) | KLKB1KLK1HDAC1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1583762-B1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-7135488-B2 | Pyrrolyl-thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-11-14 | — | — | US | disclosed |
| EP-1583762-A1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| US-20040147572-A1 | Novel pyrrolyl-thiazole derivatives | HOFFMAN-LA ROCHE INC. | 2004-07-29 | — | — | US | disclosed |
| WO-2004060888-A1 | NOVEL CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | 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-20040147572-A1 | Novel pyrrolyl-thiazole derivatives | CNR1, CNR2, NPY1R | KLKB1 3949/4885KLK1 3547/4885HDAC1 688/4885 |
“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.