Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Celecoxib. 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 | 14/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 10/20 | 1.00 |
| ▸ | PDPK1 | O15530 | 7/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | PTGES | O14684 | 1/20 | 1.00 |
| ▸ | HDAC3 | O15379 | 1/20 | 1.00 |
| ▸ | CA12 | O43570 | 1/20 | 1.00 |
| ▸ | PDE5A | O76074 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | MT-CO2 | P00403 | 1/20 | 1.00 |
| ▸ | CA1 | P00915 | 1/20 | 1.00 |
| ▸ | CA2 | P00918 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | CA3 | P07451 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | ALOX5 | P09917 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | ADRB3 | P13945 | 1/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Celecoxib SCHEMBL3708 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL19212458 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL5673015 | 0.99 | PDPK1 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL28441251 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL6600270 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL1982868 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL354683 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL9998656 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3785427 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL1981887 | 0.99 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100558415-C | The biocompatible coating of medical surfaces, method and purposes | HEMOTEQ GMBH (DE) | 2009-11-11 | — | — | CN | claimed |
| EP-1437132-B1 | Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors | NICOX SA (FR) | 2008-12-03 | — | — | EP | claimed |
| EP-1473288-B1 | Nitric ester derivatives of COX-2 inhibitors and their use for treating inflammation and cardiovascular diseases | NICOX SA (FR) | 2008-07-16 | — | — | EP | claimed |
| WO-2007149103-A2 | VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE | KAISER DANIEL E (US) | 2007-12-27 | — | — | WO | claimed |
| US-20050101661-A1 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2005-05-12 | — | — | US | claimed |
| EP-1473288-A1 | Nitric ester derivatives of COX-2 inhibitors and their use for treating inflammation and cardiovascular diseases | Nicox S.A. (FR) | 2004-11-03 | — | — | EP | claimed |
| EP-0931065-B1 | use of NITRIC ESTER DERIVATIVES IN the treatment of URINARY INCONTINENCE | NICOX SA (FR) | 2004-07-28 | — | — | EP | claimed |
| EP-1437132-A1 | Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors | Nicox S.A (FR) | 2004-07-14 | — | — | EP | claimed |
| CN-118076728-A | Engineered cells for therapy | 海岸线生物科学公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117561330-A | Compositions and methods for generating gamma-delta T cells from induced pluripotent stem cells | 世纪治疗股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-117441010-A | Compositions and methods for producing alpha-beta T cells from induced pluripotent stem cells | 世纪治疗股份有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-117425736-A | Methods for modulating host cell surface interactions with SARS-COV-2 | 基因泰克公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-116685351-A | Results of EMPACTA: random, double-blind, placebo-controlled, multicenter study for assessing the efficacy and safety of tobrazumab in hospitalized patients with covd-19 pneumonia | 基因泰克公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-116490520-A | Tozumaab and adefovir combination therapy for covd-19 pneumonia | 基因泰克公司 | 2023-07-25 | — | — | CN | disclosed |
| US-20040082652-A1 | Nitric ester derivatives and their use in treating gastrointestinal tumors | NICOX S.A. | 2004-04-29 | — | — | US | disclosed |
| EP-1392287-A2 | USE OF AZETIDINONE SUBSTITUTED DERIVATIVES IN THE TREATMENT OF ALZHEIMER'S DISEASE | SCHERING CORPORATION (US) | 2004-03-03 | — | — | EP | disclosed |
| US-20030013699-A1 | Methods for treating alzheimer's disease and/or regulating levels of amyloid beta peptides in a subject | SCHERING CORPORATION | 2003-01-16 | — | — | US | disclosed |
| WO-2002096415-A2 | USE OF AZETIDINONE SUBSTITUTED DERIVATIVES IN THE TREATMENT OF ALZHEIMER'S DISEASE | SCHERING CORPORATION (US) | 2002-12-05 | — | — | WO | disclosed |
| EP-1156855-A1 | COMPOSITION COMPRISING A TRAMADOL MATERIAL AND A SELECTIVE COX-2 INHIBITOR DRUG | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000051685-A1 | COMPOSITION COMPRISING A TRAMADOL MATERIAL AND A SELECTIVE COX-2 INHIBITOR DRUG | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-09-08 | — | — | 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-20040082652-A1 | Nitric ester derivatives and their use in treating gastrointestinal tumors | NOS1, PTGER1, NOS3 | PTGS2 62/4885PTGS1 5/4885PDPK1 2792/4885 |
| US-20050101661-A1 | Use of nitroderivatives in urinary incontinence | NR0B1, NOX1, AKR1C1 | PTGS2 1068/4885PTGS1 381/4885PDPK1 4376/4885 |
| US-20030013699-A1 | Methods for treating alzheimer's disease and/or regulating levels of amyloid beta peptides in a subject | APOB, APP, BACE1 | PTGS2 1780/4885PTGS1 1534/4885PDPK1 3732/4885 |
“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.