Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | RPA1 | P27694 | 3/20 | 0.50 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14728116 | 0.91 | SMPD1 (0.64) | SMPD1SMN1; SMN2PTGS2PPP1CACA9 | |
| SCHEMBL3863714 | 0.89 | RPA1 (0.60) | SMN1; SMN2PTGS2RPA1MALT1NFKB1 | |
| SCHEMBL3863671 | 0.89 | SMN1; SMN2 (0.69) | SMPD1SMN1; SMN2PTGS2PPP1CARPA1 | |
| SCHEMBL3865146 | 0.89 | PTGS2 (0.69) | SMPD1SMN1; SMN2PTGS2PPP1CARPA1 | |
| SCHEMBL3873182 | 0.89 | SMPD1 (0.58) | SMPD1SMN1; SMN2PTGS2CA9RPA1 | |
| SCHEMBL861458 | 0.89 | SMPD1 (0.55) | SMPD1SMN1; SMN2PTGS2PPP1CACA9 | |
| SCHEMBL3876516 | 0.89 | RPA1 (0.56) | SMN1; SMN2PTGS2PPP1CARPA1MALT1 | |
| SCHEMBL9201539 | 0.88 | CA9 (0.70) | SMPD1SMN1; SMN2PTGS2PPP1CACA9 | |
| SCHEMBL861050 | 0.87 | SMPD1 (0.53) | SMPD1SMN1; SMN2PTGS2PPP1CACA9 | |
| SCHEMBL3870911 | 0.86 | PTGS2 (0.54) | SMN1; SMN2PTGS2MALT1NFKB1NFKB2 |
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-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 | SMPD1 1857/4885SMN1; SMN2 2470/4885PTGS2 1/4885 |
| US-20060194861-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | SMPD1 1857/4885SMN1; SMN2 2470/4885PTGS2 1/4885 |
| US-20090005350-A1 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | PTGS2, PTGIS, PTGES2 | SMPD1 1857/4885SMN1; 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.