Acetic Acid

Acetic Acid

SCHEMBL1802264

CC(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.52

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 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PAOX Q6QHF9 1/20 0.33

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
Bicarbonate SCHEMBL5227 0.92 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL9790 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL2229127 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL2417 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
Acetic Acid SCHEMBL7856370 0.89 ALDH1A1 (0.38) TERTALDH1A1KDM4ECHRM2CHRM1
Propionic Acid SCHEMBL8407104 0.89 ALDH1A1 (0.38) TERTALDH1A1KDM4ECHRM2CHRM1
Alcohol SCHEMBL7566185 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL626439 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL21752977 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CHRM1HSD11B1
SCHEMBL21752846 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CHRM1HSD11B1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734965-A4 NEW COMPOSITIONS AND METHODS FOR MAINTAINING EYELID HYGIENE ADVANCED VISION RES INC (US) 2008-06-11 EP claimed
US-20070231353-A1 Compositons and methods for maintaining eyelid hygiene ADVANCED VISION RESEARCH, INC. (US) 2007-10-04 US claimed
EP-1734965-A1 NEW COMPOSITIONS AND METHODS FOR MAINTAINING EYELID HYGIENE Advanced Vision Research, Inc. (US) 2006-12-27 EP claimed
US-20060116355-A1 Eye care kit for treating periocular disease VAN BREEN EDUARD T 2006-06-01 US claimed
WO-2005097130-A1 NEW COMPOSITIONS AND METHODS FOR MAINTAINING EYELID HYGIENE ADVANCED VISION RESEARCH, INC. (US) 2005-10-20 WO claimed
EP-0015437-B1 METHOD AND REAGENT FOR THE DETERMINATION OF CREATINE KINASE Roche Diagnostics GmbH (DE) 1981-11-25 EP claimed
US-4286057-A QUANTITATIVE ANALYSIS OF CREATINE KINASE USING THE LUMINESCENT SYSTEM OF THE FIREFLY BOEHRINGER MANNHEIM GMBH (DE) 1981-08-25 US claimed
US-20210046181-A1 MULTIVALENT PEPTIDE CONJUGATES FOR SUSTAINED INTRA-ARTICULAR TREATMENT OF JOINT INFLAMMATION VALITOR, INC. 2021-02-18 US disclosed
EP-3762036-A1 MULTIVALENT PEPTIDE CONJUGATES FOR SUSTAINED INTRA-ARTICULAR TREATMENT OF JOINT INFLAMMATION Valitor, Inc. (US) 2021-01-13 EP disclosed
WO-2019173777-A1 MULTIVALENT PEPTIDE CONJUGATES FOR SUSTAINED INTRA-ARTICULAR TREATMENT OF JOINT INFLAMMATION VALITOR, INC. (US) 2019-09-12 WO disclosed
EP-2018103-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF INFECTION OR INFECTIOUS COLONIZATION OF THE EYELID, OCULAR SURFACE, SKIN OR EAR ADVANCED VISION RES INC (US) 2015-08-26 EP disclosed
US-8535736-B2 Methods and compositions for the treatment of infection or infectious colonization of the eyelid, ocular surface, skin or ear ADVANCED VISION RESEARCH, INC (US) 2013-09-17 US disclosed
CN-101583341-B Eyelid scrub composition OCUSOFT INC 2013-09-11 CN disclosed
WO-2005097130-A1 NEW COMPOSITIONS AND METHODS FOR MAINTAINING EYELID HYGIENE ADVANCED VISION RESEARCH, INC. (US) 2005-10-20 WO disclosed
US-20050220742-A1 Compositions and methods for maintaining eyelid hygiene BREEN ED V 2005-10-06 US disclosed
US-20050137205-A1 Formulation for treating periocular disease DBD DESIGN INC. 2005-06-23 US disclosed
US-20050137205-A1 Formulation for treating periocular disease DBD DESIGN INC. 2005-06-23 US disclosed
US-6448251-B1 FATTY ACID ESTER OF HEPES FOR TOPICAL TREATMENT OF DERMATITIS HAWKEYE-JENSEN, INC. 2002-09-10 US disclosed
US-6114337-A Zwitteronic-fatty acid compounds having anti-inflammatory properties PUGLIESE PETER T (US) 2000-09-05 US disclosed
US-4286057-A QUANTITATIVE ANALYSIS OF CREATINE KINASE USING THE LUMINESCENT SYSTEM OF THE FIREFLY BOEHRINGER MANNHEIM GMBH (DE) 1981-08-25 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 (1 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-20210046181-A1 MULTIVALENT PEPTIDE CONJUGATES FOR SUSTAINED INTRA-ARTICULAR TREATMENT OF JOINT INFLAMMATION CD44, SYVN1, ICAM1 TERT 4358/4885ALDH1A1 3797/4885KDM4E 4398/4885

“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.