Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CTH | P32929 | 1/20 | 0.32 |
| ▸ | CBS | P35520 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7150792 | 0.82 | — | — | |
| Acetic Acid SCHEMBL7763629 | 0.78 | — | — | |
| Acetic Acid SCHEMBL9000557 | 0.78 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL2480774 | 0.76 | ALDH1A1 (0.57) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL651110 | 0.76 | TSHR (0.57) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL927068 | 0.76 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL1203656 | 0.76 | ALDH1A1 (0.64) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL15327825 | 0.75 | — | — | |
| Acetic Acid SCHEMBL9776628 | 0.74 | — | — | |
| Tert-Butylamine SCHEMBL289315 | 0.74 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265856-B1 | NOVEL PROCESS FOR THE PREPARATION OF ALPHA-(2-4-DISULFOPHENYL)-N-TERT-BUTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2004-04-07 | — | — | EP | claimed |
| US-6512143-B1 | Salt formation by reaction of alkanoic acid with N-tert-butylhydroxylamine | ASTRAZENECA AB (CH) | 2003-01-28 | — | — | US | claimed |
| EP-1265856-A1 | NOVEL PROCESS FOR THE PREPARATION OF ALPHA-(2-4-DISULFOPHENYL)-N-TERT-BUTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | AstraZeneca AB (SE) | 2002-12-18 | — | — | EP | claimed |
| US-6479697-B2 | BY THE REACTION OF THE CORRESPONDING DISULFOPHENYL ALDEHYDE WITH N-TERT-BUTYLHYDROXYLAMMONIUM ACETATE | ASTRAZENECA AB (SE) | 2002-11-12 | — | — | US | claimed |
| US-20020128318-A1 | NOVEL PROCESS FOR THE PREPARATION OF ALPHA-(2-4-DISULFOPHENYL)-N-TERT-BURTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2002-09-12 | — | — | US | claimed |
| WO-2001051460-A1 | NOVEL PROCESS FOR THE PREPARATION OF α-(2-4-DISULFOPHENYL)-N-TERT-BUTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2001-07-19 | — | — | WO | claimed |
| EP-1095012-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | claimed |
| WO-2000002848-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | WO | claimed |
| US-20090318454-A1 | NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT | WEINER, CARL P | 2009-12-24 | — | — | US | disclosed |
| EP-1753714-A4 | 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS | RENOVIS INC (US) | 2007-10-17 | — | — | EP | disclosed |
| EP-1753714-A2 | 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS | Renovis, Inc. (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005079270-A2 | 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS | RENOVIS, INC. (US) | 2005-09-01 | — | — | WO | disclosed |
| US-20050182060-A1 | 2-Substituted and 4-substituted aryl nitrone compounds | RENOVIS, INC. | 2005-08-18 | — | — | US | disclosed |
| CN-1198798-C | Novel process for preparation of alpha-(2.4-disulfophenyl)-N-tert-butylnitrone and pharmaceutically acceptable salts thereof | ASTRAZENECA AB (SE) | 2005-04-27 | — | — | CN | disclosed |
| US-20020128318-A1 | NOVEL PROCESS FOR THE PREPARATION OF ALPHA-(2-4-DISULFOPHENYL)-N-TERT-BURTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2002-09-12 | — | — | US | disclosed |
| US-20020082453-A1 | Process for preparing N-substituted hydroxylamines and salts thereof | LANXESS DEUTSCHLAND GMBH (DE) | 2002-06-27 | — | — | US | disclosed |
| WO-2001051460-A1 | NOVEL PROCESS FOR THE PREPARATION OF α-(2-4-DISULFOPHENYL)-N-TERT-BUTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001051460-A1 | NOVEL PROCESS FOR THE PREPARATION OF α-(2-4-DISULFOPHENYL)-N-TERT-BUTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | ASTRAZENECA AB (SE) | 2001-07-19 | — | — | WO | disclosed |
| EP-1095012-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | AstraZeneca AB (SE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000002848-A1 | NOVEL SALTS OF N-TERT-BUTYLHYDROXYLAMINE | ASTRAZENECA AB (SE) | 2000-01-20 | — | — | 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-20020082453-A1 | Process for preparing N-substituted hydroxylamines and salts thereof | HAAO, HNMT, PAH | FFAR3 3507/4885LCK 3244/4885FYN 1090/4885 |
| US-20020128318-A1 | NOVEL PROCESS FOR THE PREPARATION OF ALPHA-(2-4-DISULFOPHENYL)-N-TERT-BURTYLNITRONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | TERT, SBDS, TTR | FFAR3 2257/4885LCK 1428/4885FYN 742/4885 |
| US-20050182060-A1 | 2-Substituted and 4-substituted aryl nitrone compounds | CXCR2, CCL5, CCL2 | FFAR3 313/4885LCK 1210/4885FYN 809/4885 |
| US-20090318454-A1 | NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT | GPX1, SOD1, GPX4 | FFAR3 825/4885LCK 3543/4885FYN 2279/4885 |
“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.