Acetic Acid

Acetic Acid

SCHEMBL783968

CC(=O)O.O=C(O)C=NCO

nearest known ligand 0.37

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 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
Acetic Acid SCHEMBL5083333 0.80 FFAR3 (0.33) FFAR3LCKFYN
Acetic Acid SCHEMBL9240467 0.79 FFAR3 (0.37) FFAR3LCKFYN
Acetic Acid SCHEMBL9223254 0.78 FFAR3 (0.32) FFAR3LCKFYN
Acetic Acid SCHEMBL19834918 0.77 FFAR3 (0.35) FFAR3LCKFYN
Acetic Acid SCHEMBL10866192 0.73 FFAR3 (0.32) FFAR3LCKFYN
SCHEMBL9852788 0.72
SCHEMBL9852791 0.72
Acetic Acid SCHEMBL1766189 0.72 FFAR3 (0.30) FFAR3LCKFYN
Acetic Acid SCHEMBL6535003 0.72 AKR1B1 (0.34)
SCHEMBL8651775 0.71 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618807-B1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS ECOLAB USA INC (US) 2020-03-11 EP disclosed
EP-3461334-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS Ecolab USA Inc. (US) 2019-04-03 EP disclosed
US-9545461-B2 Anti-microbial peptides and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-17 US disclosed
US-9474703-B2 Antimicrobial compositions containing cationic active ingredients and quaternary sugar derived surfactants ECOLAB USA INC. (US) 2016-10-25 US disclosed
US-20160151534-A1 ANTI-MICROBIAL PEPTIDES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-06-02 US disclosed
US-9187541-B2 Anti-microbial peptides and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-17 US disclosed
US-20150087717-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS ECOLAB USA INC (US) 2015-03-26 US disclosed
US-8933055-B2 Antimicrobial compositions containing cationic active ingredients and quaternary sugar derived surfactants ECOLAB USA INC. (US) 2015-01-13 US disclosed
US-20140221273-A1 Anti-Microbial Peptides and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-07 US disclosed
EP-2618807-A2 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS Ecolab USA Inc. (US) 2013-07-31 EP disclosed
WO-2012148720-A2 ANTI-MICROBIAL PEPTIDES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-01 WO disclosed
WO-2012038915-A2 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS ECOLAB USA INC. (US) 2012-03-29 WO disclosed
US-20120071438-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS ECOLAB USA INC. (US) 2012-03-22 US 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 (2 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-20120071438-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS CUTA, UGCG, LGALS7; LGALS7B FFAR3 224/4885LCK 657/4885FYN 2636/4885
US-20150087717-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE INGREDIENTS AND QUATERNARY SUGAR DERIVED SURFACTANTS CUTA, UGCG, LGALS7; LGALS7B FFAR3 224/4885LCK 657/4885FYN 2636/4885

“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.