Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409431 | 1.00 | NPSR1 (0.36) | NPSR1CA12MMP2MMP9KIF11 | |
| SCHEMBL5409304 | 0.84 | CA12 (0.38) | CA12MMP2MMP9KIF11ECE1 | |
| SCHEMBL6980489 | 0.84 | CA12 (0.38) | CA12MMP2MMP9KIF11ECE1 | |
| SCHEMBL7135113 | 0.83 | CA12 (0.32) | CA12MMP2MMP9KIF11ECE1 | |
| SCHEMBL7135112 | 0.83 | CA12 (0.32) | CA12MMP2MMP9KIF11ECE1 | |
| SCHEMBL5399051 | 0.83 | AKR1C3 (0.39) | ECE1ALDH1A1 | |
| SCHEMBL5399056 | 0.83 | AKR1C3 (0.39) | ECE1ALDH1A1 | |
| SCHEMBL5409486 | 0.80 | MMP2 (0.41) | NPSR1CA12MMP2MMP9ALDH1A1 | |
| SCHEMBL7145187 | 0.80 | MMP2 (0.41) | NPSR1CA12MMP2MMP9ALDH1A1 | |
| SCHEMBL7145191 | 0.80 | MMP2 (0.41) | NPSR1CA12MMP2MMP9ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | AEBI JOHANNES (CH) | 2004-12-02 | — | — | US | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030199569-A1 | Pyrrolidine derivatives | AEBI JOHANNES (CH) | 2003-10-23 | — | — | US | disclosed |
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | US | disclosed |
| US-20020040146-A1 | Pyrrolidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2002-04-04 | — | — | 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 (4 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-20030199569-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | NPSR1 589/4885CA12 2354/4885MMP2 58/4885 |
| US-20020040146-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | NPSR1 589/4885CA12 2354/4885MMP2 58/4885 |
| US-20020049243-A1 | Pyrrolidine derivatives | PREP, PEPD, DNPEP | NPSR1 979/4885CA12 1229/4885MMP2 43/4885 |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | MMP1, PEPD, MMP25 | NPSR1 1506/4885CA12 478/4885MMP2 15/4885 |
“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.