Acetic Acid

Acetic Acid

SCHEMBL3819675

CC(=O)O.Nc1ccc(Cl)c(Cl)c1-c1ccccc1

nearest known ligand 0.42

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
ADORA2A P29274 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAP2 P11137 3/20 0.38
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
FABP3 P05413 4/20 0.36
FABP4 P15090 4/20 0.36
FABP5 Q01469 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAP2K3 P46734 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL331204 0.89 ADORA2A (0.46) ADORA2AMAPTLMNAKDM4EALDH1A1
Acetic Acid SCHEMBL27614844 0.73 CYP2A6 (0.54) MAPTLMNAFABP3FABP4FABP5
SCHEMBL29368088 0.72 CYP2A6 (0.44) MAPTLMNAALDH1A1FABP3FABP4
SCHEMBL3269166 0.72 CYP2A6 (0.44) MAPTLMNAALDH1A1FABP3FABP4
Acetic Acid SCHEMBL3819672 0.72 ALDH1A1 (0.45) MAPTLMNAKDM4EALDH1A1RECQL
SCHEMBL31607618 0.71 MAOA (0.45) ADORA2AMAPTLMNAKDM4EALDH1A1
Acetic Acid SCHEMBL27630446 0.71 CYP2A6 (0.52) MAPTLMNAFABP3FABP4FABP5
Acetic Acid SCHEMBL27746609 0.71 CYP2A6 (0.52) MAPTLMNAFABP3FABP4FABP5
Acetic Acid SCHEMBL27942328 0.71 DHODH (0.55) MAPTLMNAFABP3FABP4FABP5
Acetic Acid SCHEMBL28219393 0.71 CYP2A6 (0.52) MAPTLMNAFABP3FABP4FABP5

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 ADORA2A 339/4885HDAC3 1430/4885HDAC1 1829/4885
US-20240115562-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885HDAC3 1430/4885HDAC1 1829/4885
US-20150072961-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885HDAC3 1430/4885HDAC1 1829/4885
US-20240131017-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH ADORA2A 339/4885HDAC3 1430/4885HDAC1 1829/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES ADORA2A 262/4885HDAC3 1093/4885HDAC1 1392/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES ADORA2A 262/4885HDAC3 1093/4885HDAC1 1392/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH ADORA2A 339/4885HDAC3 1430/4885HDAC1 1829/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES ADORA2A 262/4885HDAC3 1093/4885HDAC1 1392/4885

“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.