Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Robenacoxib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 10/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.36 |
| ▸ | CLIC1 | O00299 | 1/20 | 0.36 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.35 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1032030 | 0.90 | PTGS2 (0.56) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL1031441 | 0.88 | PTGS2 (0.74) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL17917310 | 0.85 | PTGS2 (0.70) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| Robenacoxib SCHEMBL6036596 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| Robenacoxib SCHEMBL31121793 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL1032830 | 0.83 | PTGS2 (0.54) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL1032907 | 0.82 | PTGS2 (0.69) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| Lumiracoxib SCHEMBL6063194 | 0.82 | PTGS2 (0.87) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL1032831 | 0.82 | PTGS2 (0.61) | PTGS2PTGS1ABCB11NR1I3PPARG | |
| SCHEMBL1030644 | 0.81 | PTGS2 (0.49) | PTGS2PTGS1ABCB11NR1I3PPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060079579-A1 | Combinations of valsartan with cox-2 inhibitors | PLAT FRANCIS | 2006-04-13 | — | — | US | disclosed |
| EP-1575581-A1 | COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS | Novartis AG (CH) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004054575-A1 | COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS | NOVARTIS AG (CH) | 2004-07-01 | — | — | 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 (1 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-20060079579-A1 | Combinations of valsartan with cox-2 inhibitors | AGTR2, AGTR1, PTGER2 | PTGS2 9/4885PTGS1 25/4885ABCB11 1146/4885 |
“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.