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 | 1.00 |
| ▸ | PTGS1 | P23219 | 4/20 | 1.00 |
| ▸ | MT-CO2 | P00403 | 3/20 | 1.00 |
| ▸ | CA12 | O43570 | 2/20 | 1.00 |
| ▸ | CA1 | P00915 | 2/20 | 1.00 |
| ▸ | CA2 | P00918 | 2/20 | 1.00 |
| ▸ | CA9 | Q16790 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | CA3 | P07451 | 1/20 | 1.00 |
| ▸ | ADRB2 | P07550 | 1/20 | 1.00 |
| ▸ | ADRB1 | P08588 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 1/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 1/20 | 1.00 |
| ▸ | CA4 | P22748 | 1/20 | 1.00 |
| ▸ | CA6 | P23280 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | PDE4A | P27815 | 1/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 1/20 | 1.00 |
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 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL6168344 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL6601157 | 0.99 | PTGS2 (0.97) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL5999213 | 0.99 | PTGS2 (0.97) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL5998054 | 0.94 | PTGS2 (0.88) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Valdecoxib SCHEMBL6598685 | 0.94 | PTGS2 (0.88) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL6170420 | 0.90 | PTGS2 (0.82) | PTGS2PTGS1MT-CO2CA12CA1 | |
| Sulfamide SCHEMBL4638912 | 0.90 | PTGS2 (0.81) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL28961699 | 0.88 | PTGS2 (0.79) | PTGS2PTGS1MT-CO2CA12CA1 | |
| SCHEMBL31213504 | 0.88 | 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
Appears in 45078 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260137680-A1 | NOVEL COMPOUNDS | SITRYX THERAPEUTICS LTD (GB) | 2026-05-21 | — | — | US | claimed |
| US-20260138973-A1 | SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE | SITRYX THERAPEUTICS LTD (GB) | 2026-05-21 | — | — | US | claimed |
| EP-4745155-A1 | POWDER CONTAINING PARTICLES OF GELATIN DERIVATIVE AND APPLICATION OF SAME IN MEDICAL TREATMENT | National Institute for Materials Science (JP) | 2026-05-20 | — | — | EP | claimed |
| EP-3841097-B1 | 2,6-BIS(((1H-BENZO[D]IMIDAZOL-2-YL)THIO)METHYL)PYRIDINE AND N2,N6-DIBENZYLPYRIDINE-2,6-DICARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS FOR TREATING CANCER | BIOMEDICAL RES FOUNDATION OF THE ACADEMY OF ATHENS BRFAA (GR) | 2026-05-20 | — | — | EP | claimed |
| US-12630599-B2 | CA2 compositions and methods for tunable regulation | OBSIDIAN THERAPEUTICS, INC. (US) | 2026-05-19 | — | — | US | claimed |
| EP-4255391-B1 | LUMINOL FOR USE IN THE TREATMENT OF SEQUELAE OF A SARS-COV-2 INFECTION | METRIOPHARM AG (CH) | 2026-05-06 | — | — | EP | claimed |
| US-20260115209-A1 | COMBINATION THERAPY INCLUDING COX-2 INHIBITOR FOR THE TREATMENT OF CANCER | UNIV CALIFORNIA (US) | 2026-04-30 | — | — | US | claimed |
| US-12605432-B2 | Combinations for antigen based therapy | DIAMYD MEDICAL AB (SE) | 2026-04-21 | — | — | US | claimed |
| US-20260085061-A1 | PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS | SITRYX THERAPEUTICS LIMITED (GB) | 2026-03-26 | — | — | US | claimed |
| US-20260069532-A1 | METHOD FOR MORSELIZING AND/OR TARGETING PHARMACEUTICALLY ACTIVE PRINCIPLES TO SYNOVIAL TISSUE | MEDINCELL S.A. (FR) | 2026-03-12 | — | — | US | claimed |
| WO-1998006708-A1 | CRYSTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL]BENZENESULFONAMIDE | G.D. SEARLE & CO. (US) | 1998-02-19 | — | — | WO | claimed |
| EP-0809636-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | claimed |
| WO-1997029776-A1 | COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-08-21 | — | — | WO | claimed |
| WO-1997029775-A1 | COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST | G.D. SEARLE & CO. (US) | 1997-08-21 | — | — | WO | claimed |
| WO-1997029774-A1 | COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR | G.D. SEARLE & CO. (US) | 1997-08-21 | — | — | WO | claimed |
| US-5633272-A | Substituted isoxazoles for the treatment of inflammation | PHARMACIA & UPJOHN COMPANY LLC | 1997-05-27 | — | — | US | claimed |
| WO-1996041645-A1 | COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | WO | claimed |
| WO-1996041625-A1 | COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | WO | claimed |
| WO-1996041626-A1 | COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | WO | claimed |
| WO-1996025405-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-22 | — | — | WO | claimed |