Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Valdecoxib. 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 | 17/20 | 0.97 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.97 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.97 |
| ▸ | CA12 | O43570 | 2/20 | 0.97 |
| ▸ | CA1 | P00915 | 2/20 | 0.97 |
| ▸ | CA2 | P00918 | 2/20 | 0.97 |
| ▸ | CA9 | Q16790 | 2/20 | 0.97 |
| ▸ | LMNA | P02545 | 1/20 | 0.97 |
| ▸ | CA3 | P07451 | 1/20 | 0.97 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.97 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.97 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.97 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.97 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.97 |
| ▸ | CA4 | P22748 | 1/20 | 0.97 |
| ▸ | CA6 | P23280 | 1/20 | 0.97 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.97 |
| ▸ | PDE4A | P27815 | 1/20 | 0.97 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Valdecoxib SCHEMBL3853130 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL6168344 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL3356 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL6601157 | 0.97 | PTGS2 (0.97) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL5998054 | 0.92 | PTGS2 (0.88) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL6598685 | 0.92 | PTGS2 (0.88) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL6170420 | 0.89 | PTGS2 (0.82) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Sulfamide SCHEMBL4638912 | 0.88 | PTGS2 (0.81) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL28961699 | 0.87 | PTGS2 (0.79) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL31213504 | 0.86 | PTGS2 (0.78) | PTGS2PTGS1MT-CO2CA12CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114028347-B | Parixib sodium for injection and preparation method thereof | 海南皇隆制药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-114028347-A | Parecoxib sodium for injection and preparation method thereof | 海南皇隆制药股份有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-104771370-B | Parecoxib sodium freeze-dried powder injection and preparation method thereof | 南京圣和药业股份有限公司 | 2020-07-24 | — | — | CN | disclosed |
| CN-104771370-A | Parecoxib sodium freeze-dried powder injection and preparation method thereof | NANJING SANHOME PHARMACEUTICAL CO LTD | 2015-07-15 | — | — | CN | disclosed |
| US-20060052432-A1 | Pharmaceutical compositions with improved dissolution | TRANSFORM PHARMACEUTICALS, INC. | 2006-03-09 | — | — | US | disclosed |
| WO-2004026235-A2 | PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-04-01 | — | — | 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-20060052432-A1 | Pharmaceutical compositions with improved dissolution | ABCG2, SI, SLC10A2 | PTGS2 1028/4885PTGS1 817/4885MT-CO2 4641/4885 |
“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.