Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 11/20 | 0.62 |
| ▸ | ITGB1 | P05556 | 10/20 | 0.62 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.40 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5207007 | 1.00 | ITGA4 (0.62) | ITGA4ITGB1ITGB7LNPEPHSD11B1 | |
| SCHEMBL6296771 | 0.92 | ITGA4 (0.70) | ITGA4ITGB1ITGB7CA2 | |
| SCHEMBL6375049 | 0.84 | ITGA4 (0.77) | ITGA4ITGB1ITGB7ALDH1A1KMT2A | |
| SCHEMBL6367713 | 0.84 | ITGA4 (0.71) | ITGA4ITGB1ITGB7CA1CA2 | |
| SCHEMBL6368938 | 0.83 | ITGA4 (0.68) | ITGA4ITGB1ITGB7ALDH1A1KMT2A | |
| SCHEMBL6373491 | 0.83 | ITGA4 (0.70) | ITGA4ITGB1ITGB7CA2 | |
| SCHEMBL6372333 | 0.83 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL21540446 | 0.83 | ITGA4 (0.54) | ITGA4ITGB1ITGB7 | |
| SCHEMBL5686705 | 0.81 | ITGA4 (0.68) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6375051 | 0.81 | ITGA4 (0.85) | ITGA4ITGB1ITGB7 |
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-1389200-A4 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| US-6943180-B2 | Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-09-13 | — | — | US | disclosed |
| US-20040102478-A1 | Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors | MERCK & CO., INC. | 2004-05-27 | — | — | US | disclosed |
| EP-1389200-A1 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002074761-A1 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2002-09-26 | — | — | 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-20040102478-A1 | Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors | VCAM1, CD4, ICAM1 | ITGA4 4/4885ITGB1 28/4885ITGB7 20/4885 |
“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.