Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5745054 | 0.84 | KMT2A (0.41) | CYP2D6TSHRALDH1A1NPY2RKDM4E | |
| SCHEMBL5742740 | 0.82 | CYP2D6 (0.47) | CYP2D6MAPK1PKMGAATSHR | |
| SCHEMBL5744644 | 0.81 | CYP2D6 (0.51) | CYP2D6MAPK1PKMGAASMN1; SMN2 | |
| SCHEMBL5745169 | 0.80 | OPRM1 (0.42) | CYP2D6KDM4ELMNAMAPTHTT | |
| SCHEMBL5745148 | 0.80 | CYP2D6 (0.50) | CYP2D6MAPK1PKMGAAALDH1A1 | |
| SCHEMBL5743946 | 0.78 | CYP2D6 (0.49) | CYP2D6MAPK1PKMALDH1A1LMNA | |
| SCHEMBL5744690 | 0.78 | CYP2D6 (0.46) | CYP2D6MAPK1PKMALDH1A1NPSR1 | |
| SCHEMBL5745456 | 0.76 | CYP2D6 (0.47) | CYP2D6MAPK1PKMALDH1A1SLC6A9 | |
| SCHEMBL5745110 | 0.76 | CYP2D6 (0.47) | CYP2D6MAPK1PKMALDH1A1NPSR1 | |
| SCHEMBL5744745 | 0.76 | SLC6A9 (0.46) | CYP2D6MAPK1PKMALDH1A1SLC6A9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1288198-B1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORP (JP) | 2006-12-20 | — | — | EP | disclosed |
| US-6992205-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2006-01-31 | — | — | US | disclosed |
| US-6864372-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2005-03-08 | — | — | US | disclosed |
| US-6794519-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2004-09-21 | — | — | US | disclosed |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| US-20030176711-A1 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| US-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-08-28 | — | — | US | disclosed |
| EP-1288198-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-03-05 | — | — | EP | 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-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | TST, STS, SELENOI | OPRM1 2799/4885CYP2D6 675/4885MAPK1 816/4885 |
| US-20030176711-A1 | Process for the production of sulfonic esters | TST, STS, SELENOI | OPRM1 2799/4885CYP2D6 675/4885MAPK1 816/4885 |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | BRAF, ADH1C, TST | OPRM1 1372/4885CYP2D6 1620/4885MAPK1 1036/4885 |
“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.