Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 10/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.69 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL6069846 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL23965405 | 0.82 | PTGS2 (0.73) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14163961 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL30988052 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29366203 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29402456 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5210195 | 0.81 | PTGS2 (0.82) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL183950 | 0.81 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14126237 | 0.81 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060715-B2 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK FROSST CANADA LTD. (CA) | 2006-06-13 | — | — | US | disclosed |
| US-20050009875-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK CANADA INC. (CA) | 2005-01-13 | — | — | US | disclosed |
| US-6812346-B2 | ANTIINFLAMMATORY AGENTS; ANTIPYRETICS; ANALGESICS | MERCK FROSST CANADA AND CO. (CA) | 2004-11-02 | — | — | US | disclosed |
| US-20040029921-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK FROSST CANADA & CO. | 2004-02-12 | — | — | US | disclosed |
| US-6596736-B2 | Well as a method of treating COX-2 mediated diseases comprising administration to a patient in need of such treatment of a non- toxic therapeutically effective amount of a compound of Formula I. pain, dysmenorrhea, myositis, | MERCK & CO., INC. | 2003-07-22 | — | — | US | disclosed |
| US-20030065011-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK FROSST CANADA & CO. | 2003-04-03 | — | — | US | disclosed |
| US-6071936-A | ANTIINFLAMMATORY AGENTS ANTIPYRETICS, ANALGESICS, ANTICARCINOGENIC AGENTS, SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2000-06-06 | — | — | US | disclosed |
| US-6001843-A | Substituted pyridines as selective cyclooxygenase-2 inhibitors | MERCK & CO., INC. (US) | 1999-12-14 | — | — | US | disclosed |
| US-5861419-A | ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; ETORICOXIB PATENT | MERCK FROSST CANAD, INC. (CA) | 1999-01-19 | — | — | 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 (3 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-20050009875-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | PTGS2, PTGES2, PTGS1 | PTGS2 1/4885PTGS1 3/4885ABCC4 1721/4885 |
| US-20030065011-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | PTGS2, PTGES2, PTGS1 | PTGS2 1/4885PTGS1 3/4885ABCC4 1696/4885 |
| US-20040029921-A1 | Substituted pyridines as selective cyclooxygenase-2 inhibitors | PTGS2, PTGES2, PTGS1 | PTGS2 1/4885PTGS1 3/4885ABCC4 1696/4885 |
“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.