Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.83 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.83 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864455 | 0.92 | PTGS2 (0.82) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL3862668 | 0.92 | PTGS2 (0.82) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL3865167 | 0.92 | PTGS2 (0.82) | PTGS2PTGS1CHRNA7 | |
| SCHEMBL3865468 | 0.91 | PTGS2 (0.81) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL3868476 | 0.91 | PTGS2 (1.00) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL3864401 | 0.89 | PTGS2 (0.78) | PTGS2PTGS1CYP2C9CHRNA7 | |
| SCHEMBL3865581 | 0.89 | PTGS2 (0.78) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL5677910 | 0.88 | PTGS2 (0.75) | PTGS2PTGS1CHRNA7 | |
| SCHEMBL3866581 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL6440362 | 0.82 | PTGS2 (0.64) | PTGS2PTGS1CYP2C9CA9 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442802-B2 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-28 | — | — | US | claimed |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2006-08-31 | — | — | US | claimed |
| US-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-03-18 | — | — | US | claimed |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-01-01 | — | — | US | disclosed |
| US-7442802-B2 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-28 | — | — | US | disclosed |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2006-08-31 | — | — | US | disclosed |
| US-7087630-B2 | Cyclooxygenase 2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2006-08-08 | — | — | US | disclosed |
| EP-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| US-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-03-18 | — | — | US | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | 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 (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-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885PTGS1 4/4885HDAC3 3852/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885PTGS1 4/4885HDAC3 3852/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | PTGS2 1/4885PTGS1 4/4885HDAC3 3852/4885 |
“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.