Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rofecoxib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 13/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 9/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | MT-CO2 | P00403 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | MC4R | P32245 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Rofecoxib SCHEMBL14163950 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL3050 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL5858026 | 1.00 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL28953295 | 0.98 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL7860859 | 0.98 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL6598209 | 0.98 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL6598222 | 0.93 | PTGS2 (0.86) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL5120688 | 0.91 | PTGS2 (0.83) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL14163949 | 0.90 | PTGS2 (0.81) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL13524329 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013116061-A1 | INSERTION AND REMOVAL METHODS AND APPARATUS FOR THERAPEUTIC DEVICES | FORSIGHT VISION4, INC. (US) | 2013-08-08 | — | — | WO | disclosed |
| US-20090186834-A1 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | MICROBIA, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-20090005321-A1 | Phenylazetidinone Derivatives | MICROBIA, INC. (US) | 2009-01-01 | — | — | US | disclosed |
| US-20080194494-A1 | 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia | MICROBIA, INC. (US) | 2008-08-14 | — | — | US | disclosed |
| EP-1879860-A2 | 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA | Microbia Inc. (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1392287-B8 | Use of substituted azetidinone derivatives in the treatment of Alzheimer's disease | SCHERING CORP (US) | 2007-01-10 | — | — | EP | disclosed |
| EP-1392287-B1 | USE OF AZETIDINONE SUBSTITUTED DERIVATIVES IN THE TREATMENT OF ALZHEIMER'S DISEASE | SCHERING CORP (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006122186-A2 | 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA | MICROBIA, INC. (US) | 2006-11-16 | — | — | WO | disclosed |
| WO-2006083508-A2 | COMBINATIONS OF SUPEROXIDE DISMUTASE MIMETICS AND NONSTEROIDAL ANALGESIC/ANTI-INFLAMMATORY DRUGS | METAPHORE PHARMACEUTICALS INC. (US) | 2006-08-10 | — | — | WO | disclosed |
| EP-1549742-A1 | METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF | Tjötta, Enok (NO) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004055175-A1 | METHOD FOR SELECTION OF COMPOUNDS WHICH INHIBIT CLONAL CELL GROWTH AND USE THEREOF | TJOETTA ENOK (NO) | 2004-07-01 | — | — | WO | disclosed |
| WO-2004047772-A2 | CATALYTIC ANTIOXIDANTS AND METHODS OF USE | FLORIDA ATLANTIC UNIVERSITY (US) | 2004-06-10 | — | — | WO | 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 (4 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-20080194494-A1 | 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia | CYP46A1, CYP7A1, UGT1A1 | PTGS2 1229/4885PTGS1 1182/4885ABCB11 21/4885 |
| US-20090186834-A1 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | NPC1L1, CYP46A1, NPC1 | PTGS2 822/4885PTGS1 1363/4885ABCB11 20/4885 |
| 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 1534/4885ABCB11 1227/4885 |
| US-20090005321-A1 | Phenylazetidinone Derivatives | TYR, AAAS, FANCD2 | PTGS2 1231/4885PTGS1 1415/4885ABCB11 923/4885 |
“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.