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 | 12/20 | 0.89 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.89 |
| ▸ | PDPK1 | O15530 | 7/20 | 0.89 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.89 |
| ▸ | PTGES | O14684 | 1/20 | 0.89 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.89 |
| ▸ | CA12 | O43570 | 1/20 | 0.89 |
| ▸ | PDE5A | O76074 | 1/20 | 0.89 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.89 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.89 |
| ▸ | CA1 | P00915 | 1/20 | 0.89 |
| ▸ | CA2 | P00918 | 1/20 | 0.89 |
| ▸ | LMNA | P02545 | 1/20 | 0.89 |
| ▸ | CA3 | P07451 | 1/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.89 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.89 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.89 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.89 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.89 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.89 |
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 SCHEMBL15268727 | 0.97 | PTGS2 (0.91) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL1035868 | 0.94 | PTGS2 (0.95) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3708 | 0.94 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3669597 | 0.94 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL16163312 | 0.94 | PTGS2 (0.85) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL6599918 | 0.93 | PTGS2 (0.89) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL3785427 | 0.93 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL6600270 | 0.93 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| Celecoxib SCHEMBL9998656 | 0.93 | PTGS2 (0.98) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL5673015 | 0.93 | PDPK1 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170151266-A1 | METHODS AND COMPOSITIONS FOR ENHANCED DRUG DELIVERY TO THE EYE AND EXTENDED DELIVERY FORMULATIONS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-01 | — | — | US | disclosed |
| US-9562015-B2 | Methods and compositions for enhanced drug delivery to the eye and extended delivery formulations | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY (US) | 2017-02-07 | — | — | US | disclosed |
| US-20140309200-A1 | Methods and Compositions for Enhanced Drug Delivery to the Eye and Extended Delivery Formulations | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-16 | — | — | US | 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 (2 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-20140309200-A1 | Methods and Compositions for Enhanced Drug Delivery to the Eye and Extended Delivery Formulations | CRH, PCNP, PRDX1 | PTGS2 9/4885PTGS1 4/4885PDPK1 4301/4885 |
| US-20170151266-A1 | METHODS AND COMPOSITIONS FOR ENHANCED DRUG DELIVERY TO THE EYE AND EXTENDED DELIVERY FORMULATIONS | CRH, PCNP, PRDX1 | PTGS2 9/4885PTGS1 4/4885PDPK1 4301/4885 |
“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.