Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864943 | 1.00 | PTGS2 (0.48) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL5072268 | 0.90 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL3988162 | 0.90 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL3988166 | 0.90 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL5798187 | 0.87 | AKR1C3 (0.48) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL5798190 | 0.87 | AKR1C3 (0.48) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL3480365 | 0.87 | PTGS2 (0.45) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL5798485 | 0.87 | PTGS2 (0.45) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL3480364 | 0.87 | PTGS2 (0.45) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL8421848 | 0.86 | PTGS2 (0.44) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| US-7432285-B2 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-20070060571-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-03-15 | — | — | US | disclosed |
| US-7166618-B2 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-01-23 | — | — | US | disclosed |
| EP-1246621-A4 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-11-24 | — | — | EP | disclosed |
| US-20030220228-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NICOX S.A. (FR) | 2003-11-27 | — | — | US | disclosed |
| US-6649629-B2 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | NITROMED, INC. | 2003-11-18 | — | — | US | disclosed |
| EP-1246621-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2002-10-09 | — | — | EP | disclosed |
| US-20010041726-A1 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | NICOX S.A. (FR) | 2001-11-15 | — | — | US | disclosed |
| WO-2001045703-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2001-06-28 | — | — | 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 (4 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-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NOS2, PTGS2, PTGIS | PTGS2 2/4885AKR1C2 558/4885AKR1C1 763/4885 |
| US-20070060571-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NOS2, PTGS2, PTGIS | PTGS2 2/4885AKR1C2 558/4885AKR1C1 763/4885 |
| US-20030220228-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | PTGS2, PTGS1, PTGES2 | PTGS2 1/4885AKR1C2 803/4885AKR1C1 896/4885 |
| US-20010041726-A1 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | PTGS1, PTGS2, PTGES | PTGS2 2/4885AKR1C2 1289/4885AKR1C1 1412/4885 |
“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.