Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6580602 | 0.95 | ITGB1 (0.40) | CYP2C19ITGB1ITGA4TBXAS1CYP4F2 | |
| SCHEMBL6581615 | 0.91 | TBXAS1 (0.41) | CYP2C19ITGB1ITGA4TBXAS1CYP4F2 | |
| SCHEMBL6583060 | 0.78 | KMT2A (0.41) | CYP4F2CYP4A11 | |
| SCHEMBL798439 | 0.78 | TBXAS1 (0.50) | CYP2C19TBXAS1CYP4F2CYP4A11 | |
| SCHEMBL1327047 | 0.76 | CYP2C19 (0.43) | CYP2C19TBXAS1CYP4F2CYP4A11 | |
| SCHEMBL9347682 | 0.75 | CYP2C19 (0.56) | CYP2C19TBXAS1CYP4F2CYP4A11 | |
| SCHEMBL9181319 | 0.75 | CYP2C19 (0.56) | CYP2C19TBXAS1CYP4F2CYP4A11 | |
| SCHEMBL1911583 | 0.75 | CETP (0.42) | CYP2C19TBXAS1CYP4F2CYP4A11 | |
| SCHEMBL6580461 | 0.74 | CYP4F2 (0.42) | ITGB1ITGA4CYP4F2CYP4A11 | |
| SCHEMBL9183939 | 0.73 | CYP2C19 (0.60) | CYP2C19TBXAS1CYP4F2CYP4A11 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154993-B1 | THIOAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6479666-B2 | ANTIINFLAMMATORY AGENTS | HOFFMAN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| US-6458844-B2 | ANTIINFLAMMATORY AGENTS | HOFFMANN-LA ROCHE INC. | 2002-10-01 | — | — | US | disclosed |
| US-6426348-B1 | FOR THERAPY OF INFLAMMATION ASSOCIATED WITH CHRONIC INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS (RA), MULTIPLE SCLEROSIS, (MS), ASTHMA, AND INFLAMMATORY BOWEL DISEASE (I BD) | HOFFMANN-LA ROCHE INC. | 2002-07-30 | — | — | US | disclosed |
| US-6423728-B1 | INHIBIT BINDING OF VASCULAR CELL ADHESION MOLECULE-1 (VCAM-1) TO THE INTEGRIN VLA-4; USE AS ANTIINFLAMMATORY AGENTS AGAINST RHEMATOID ARTHRITIS, MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE AND ASTHMA | HOFFMAN-LA ROCHE INC. | 2002-07-23 | — | — | US | disclosed |
| US-20020052508-A1 | Heterocyclic thioamide derivatives | HULL KENNETH G (US) | 2002-05-02 | — | — | US | disclosed |
| US-20020040148-A1 | Diphenyl heterocyclic thioamide derivatives | HULL KENNETH G (US) | 2002-04-04 | — | — | US | disclosed |
| US-20020028933-A1 | Thioamide derivatives | HULL KENNETH GREGORY (US) | 2002-03-07 | — | — | US | disclosed |
| US-20020010338-A1 | PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES | HULL KENNETH G (US) | 2002-01-24 | — | — | US | disclosed |
| EP-1154993-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| US-20010041799-A1 | Diephenyl carbocyclic thioamide derivatives | HULL KENNETH G (US) | 2001-11-15 | — | — | US | disclosed |
| US-6288267-B1 | AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION | HOFFMANN-LA ROCHE INC. | 2001-09-11 | — | — | US | disclosed |
| WO-2000048994-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-24 | — | — | 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 (5 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-20020028933-A1 | Thioamide derivatives | VCAM1, ICAM1, LTB4R | CYP2C19 1529/4885ITGB1 9/4885ITGA4 8/4885 |
| US-20020010338-A1 | PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES | VCAM1, ICAM1, KCNA4 | CYP2C19 1271/4885ITGB1 34/4885ITGA4 17/4885 |
| US-20020040148-A1 | Diphenyl heterocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | CYP2C19 1017/4885ITGB1 11/4885ITGA4 9/4885 |
| US-20010041799-A1 | Diephenyl carbocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | CYP2C19 1320/4885ITGB1 18/4885ITGA4 17/4885 |
| US-20020052508-A1 | Heterocyclic thioamide derivatives | VCAM1, ICAM1, LTB4R | CYP2C19 1195/4885ITGB1 18/4885ITGA4 7/4885 |
“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.