Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10644287 | 0.83 | PGR (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL14498572 | 0.81 | CYP2C19 (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL6693933 | 0.81 | CYP2C19 (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL7501034 | 0.77 | PGR (0.44) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736655 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL337276 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL10489465 | 0.76 | PGR (0.58) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL14665678 | 0.76 | PGR (0.53) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736656 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2128162 | 0.76 | PGR (0.58) | PGRADRA2AADRA2BHTR2AHRH1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218366-B8 | METHOD FOR PRODUCING COX-2 INHIBITORS | MERIAL SAS (FR) | 2005-11-09 | — | — | EP | disclosed |
| EP-1218366-B1 | METHOD FOR PRODUCING COX-2 INHIBITORS | MERIAL SAS (FR) | 2005-09-14 | — | — | EP | disclosed |
| US-6541646-B2 | Reacting an oxirane compound containing phenylsulfonyl group with an acid in an anhydrous medium to form an intermediate, reacting the intermediate with a storng base in an aprotic solvent to form an ester compound,dehydrating the ester comp. | MERIAL (FR) | 2003-04-01 | — | — | US | disclosed |
| US-20030028036-A1 | Method of preparing COX-2 inhibitors | MERIAL (FR) | 2003-02-06 | — | — | US | disclosed |
| EP-1218366-A2 | METHOD FOR PRODUCING COX-2 INHIBITORS | MERIAL (FR) | 2002-07-03 | — | — | EP | disclosed |
| EP-0906300-B1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | MERCK & CO INC (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2001027098-A2 | METHOD FOR PRODUCING COX-2 INHIBITORS | MERIAL (FR) | 2001-04-19 | — | — | WO | disclosed |
| US-6080876-A | REACTING THIOANISOLE WITH AN ACYL CHLORIDE IN THE PRESENCE OF A LEWIS ACID AND A SOLVENT, SULFONATION, EPOXIDATION, ESTERIFICATION, DECYCLIZATION AND CYCLIZATION; FORMING A POTENT CYCLOOXYGENASE-2 INHIBITORS | MERCK & CO., INC. (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0906300-A1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997045420-A1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | MERCK & CO., INC. (US) | 1997-12-04 | — | — | 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 (1 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-20030028036-A1 | Method of preparing COX-2 inhibitors | PTGS2, PTGS1, PTGES2 | PGR 405/4885ADRA2A 949/4885ADRA2B 857/4885 |
“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.