Acetic Acid

Acetic Acid

SCHEMBL3819672

CC(=O)O.Nc1ccccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
SCN5A known ✓ Q14524 1/20 0.41
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.41
BLM P54132 2/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SCN4A P35499 1/20 0.41
PMP22 Q01453 1/20 0.41
PDE3A Q14432 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN10A Q9Y5Y9 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL397466 0.87 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EKMT2ATSHR
Hydrochloric Acid SCHEMBL28115566 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EKMT2ATSHR
Acetic Acid SCHEMBL27614844 0.80 CYP2A6 (0.54) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL7836902 0.79 TSHR (0.68) ALDH1A1KDM4EKMT2ATSHRLMNA
Acetic Acid SCHEMBL28224071 0.79 CYP2A6 (0.52) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL27746609 0.79 CYP2A6 (0.52) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL28219393 0.79 CYP2A6 (0.52) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL27431020 0.79 CYP2A6 (0.52) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL27630446 0.79 CYP2A6 (0.52) KMT2ATSHRLMNAMEN1SCN9A
Acetic Acid SCHEMBL27942328 0.79 DHODH (0.55) KMT2ATSHRLMNAMEN1SCN9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946170-B8 DICLOFENAC FOR THE TREATMENT OF VASCULOPATHIES GLYCADIA INC (US) 2005-12-07 EP claimed
JP-2002515031-A 2002-05-21 JP claimed
EP-0946170-A4 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL INC (US) 2002-03-20 EP claimed
EP-0946170-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1999-10-06 EP claimed
WO-1997029746-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1997-08-21 WO claimed
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-07-11 US disclosed
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-25 US disclosed
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-04-11 US disclosed
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions TECHFIELDS PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-20150072961-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS PREMIER RESEARCH INTERNATIONAL, LLC 2015-03-12 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
EP-0946170-B8 DICLOFENAC FOR THE TREATMENT OF VASCULOPATHIES GLYCADIA INC (US) 2005-12-07 EP disclosed
EP-0946170-A4 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL INC (US) 2002-03-20 EP disclosed
EP-0946170-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1999-10-06 EP disclosed
WO-1997029746-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1997-08-21 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 (8 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH SCN5A 1669/4885ALDH1A1 1724/4885L3MBTL1 4827/4885
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH SCN5A 1669/4885ALDH1A1 1724/4885L3MBTL1 4827/4885
US-20150072961-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH SCN5A 1669/4885ALDH1A1 1724/4885L3MBTL1 4827/4885
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH SCN5A 1669/4885ALDH1A1 1724/4885L3MBTL1 4827/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN5A 1293/4885ALDH1A1 1790/4885L3MBTL1 4866/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN5A 1293/4885ALDH1A1 1790/4885L3MBTL1 4866/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH SCN5A 1669/4885ALDH1A1 1724/4885L3MBTL1 4827/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN5A 1293/4885ALDH1A1 1790/4885L3MBTL1 4866/4885

“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.