Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 10/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.78 |
| ▸ | HTR1A | P08908 | 1/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.78 |
| ▸ | MC4R | P32245 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL3242183 | 0.89 | PTGS2 (0.81) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL14163950 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL4434618 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL5858026 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL3050 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL6598209 | 0.87 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL7860859 | 0.87 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL13524329 | 0.87 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL28953295 | 0.87 | PTGS2 (0.97) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3246332 | 0.86 | 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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010016595-A1 | Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases | MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. | 2001-08-23 | — | — | US | claimed |
| CN-1058008-C | Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors | MERK FROSST CANADA INC (CA) | 2000-11-01 | — | — | CN | claimed |
| EP-0980866-A2 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | Merck Frosst Canada & Co. (CA) | 2000-02-23 | — | — | EP | claimed |
| US-5840746-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-11-24 | — | — | US | claimed |
| EP-0853481-A1 | COMPOSITIONS FOR TREATING INFLAMMATION CONTAINING CERTAIN PROSTAGLANDINS AND A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | MERCK FROSST CANADA INC. (CA) | 1998-07-22 | — | — | EP | claimed |
| EP-0705254-B1 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 1998-05-06 | — | — | EP | claimed |
| EP-0822190-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1998-02-04 | — | — | EP | claimed |
| WO-1997011701-A1 | COMPOSITIONS FOR TREATING INFLAMMATION CONTAINING CERTAIN PROSTAGLANDINS AND A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | MERCK-FROSST CANADA INC. (CA) | 1997-04-03 | — | — | WO | claimed |
| EP-0754687-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1997-01-22 | — | — | EP | claimed |
| CN-1125944-A | Phenyl heterocyclic compounds useful as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC (CA) | 1996-07-03 | — | — | CN | claimed |
| US-5474995-A | Nonsteroidal, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1995-12-12 | — | — | US | claimed |
| US-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| US-20080293679-A1 | Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors | CARDAX PHARMACEUTICALS, INC. | 2008-11-27 | — | — | US | disclosed |
| US-7432285-B2 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| EP-1890729-A2 | USE OF CAROTENOIDS AND/OR CAROTENOID DERIVATIVES/ANALOGS FOR REDUCTION/INHIBITION OF CERTAIN NEGATIVE EFFECTS OF COX INHIBITORS | Cardax Pharmaceuticals, Inc. (US) | 2008-02-27 | — | — | EP | disclosed |
| WO-1995018799-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-07-13 | — | — | WO | disclosed |
| WO-1995011883-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-05-04 | — | — | WO | disclosed |
| US-5393790-A | Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents | G.D. SEARLE & CO. (US) | 1995-02-28 | — | — | US | disclosed |
| WO-1995000501-A2 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-01-05 | — | — | WO | disclosed |
| WO-1994015932-A1 | NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1994-07-21 | — | — | 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-20010016595-A1 | Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases | PTGS1, PTGES2, PTGS2 | PTGS2 3/4885PTGS1 1/4885ABCB11 1435/4885 |
| US-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NOS2, PTGS2, PTGIS | PTGS2 2/4885PTGS1 5/4885ABCB11 3281/4885 |
| US-20080293679-A1 | Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors | LPL, ALOX12, LCLAT1 | PTGS2 9/4885PTGS1 26/4885ABCB11 2427/4885 |
“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.