Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5723798 | 0.83 | PTGS2 (0.62) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL5723451 | 0.83 | PTGS2 (0.98) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL5723251 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1MAOB | |
| SCHEMBL5723382 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1MAOB | |
| SCHEMBL5723597 | 0.82 | PTGS2 (0.61) | PTGS2PTGS1MAOBCA12CA2 | |
| SCHEMBL5723913 | 0.81 | PTGS2 (0.60) | PTGS2PTGS1MAOB | |
| SCHEMBL6724346 | 0.81 | PTGS2 (0.78) | PTGS2PTGS1 | |
| SCHEMBL6725693 | 0.81 | PTGS2 (0.76) | PTGS2PTGS1 | |
| SCHEMBL6721477 | 0.79 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL6726405 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2005-03-17 | — | — | US | disclosed |
| US-6825185-B2 | IMPROVING THE CARDIOVASCULAR PROFILE OF A COX-2 SELECTIVE INHIBITOR BY ADMINISTERING WITH 3-HYDROXY-3- METHYLGLUTARYL COENZYME A, AN ANTIPLATELET AGENT, A THROMBIN INHIBITOR OR A THROMBOXANE INHIBITOR | NITROMED, INC. | 2004-11-30 | — | — | US | disclosed |
| US-20040116431-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2004-06-17 | — | — | US | disclosed |
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | disclosed |
| US-6706724-B2 | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | NITROMED, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | NICOX S.A. (FR) | 2002-08-29 | — | — | US | disclosed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | 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 (2 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-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGES, PTGER4, PTGS1 | PTGS2 4/4885PTGS1 3/4885MAOB 161/4885 |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | PTGS2, PTGES2, PTGES | PTGS2 1/4885PTGS1 6/4885MAOB 96/4885 |
“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.