Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 11/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RPA1 | P27694 | 1/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3866697 | 0.89 | SMN1; SMN2 (0.46) | SMN1; SMN2PTGS2RPA1 | |
| SCHEMBL3863718 | 0.86 | RPA1 (0.50) | SMN1; SMN2PTGS2RPA1 | |
| SCHEMBL3865153 | 0.86 | PTGS2 (0.56) | SMN1; SMN2PTGS2 | |
| SCHEMBL3863677 | 0.86 | SMN1; SMN2 (0.56) | SMN1; SMN2PTGS2RPA1 | |
| SCHEMBL3873187 | 0.86 | SMPD1 (0.51) | SMN1; SMN2PTGS2RPA1TP53 | |
| SCHEMBL3876521 | 0.85 | SMN1; SMN2 (0.46) | SMN1; SMN2PTGS2RPA1 | |
| SCHEMBL3870918 | 0.83 | PTGS2 (0.44) | SMN1; SMN2PTGS2 | |
| SCHEMBL16797379 | 0.82 | KDM1A (0.60) | KDM1ASMN1; SMN2PTGS2RPA1 | |
| SCHEMBL32690388 | 0.77 | RPA1 (0.59) | KDM1ASMN1; SMN2PTGS2RPA1 | |
| SCHEMBL3864153 | 0.75 | ALDH1A1 (0.40) | SMN1; SMN2TP53 |
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-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-20070155734-A1 | Oxime and/or hydrazone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-07-05 | — | — | US | disclosed |
| US-7211598-B2 | Oxime and/or hydrozone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-05-01 | — | — | 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 |
| US-20040006133-A1 | Oxime and/or hydrozone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-01-08 | — | — | 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 (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-20040053985-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | KDM1A 3267/4885SMN1; SMN2 2470/4885PTGS2 1/4885 |
| US-20040006133-A1 | Oxime and/or hydrozone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, HMOX1, NOS2 | KDM1A 2624/4885SMN1; SMN2 2189/4885PTGS2 1/4885 |
| US-20070155734-A1 | Oxime and/or hydrazone containing nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, NOS2, HMOX2 | KDM1A 1946/4885SMN1; SMN2 1872/4885PTGS2 1/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | KDM1A 3267/4885SMN1; SMN2 2470/4885PTGS2 1/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | KDM1A 3267/4885SMN1; SMN2 2470/4885PTGS2 1/4885 |
“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.