Acetic Acid

Acetic Acid

SCHEMBL4243346

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

nearest known ligand 0.46

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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
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TSHR P16473 1/20 0.42
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
PAOX Q6QHF9 3/20 0.37
CA2 P00918 1/20 0.37
PTGS1 P23219 1/20 0.37
MMP12 P39900 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
CTH P32929 1/20 0.35

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
SCHEMBL78087 0.94
Aceturic Acid SCHEMBL42918 0.81 CTH (0.52) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL21962412 0.81
Aceturic Acid SCHEMBL5876 0.81
Aceturic Acid SCHEMBL27679584 0.80 CTH (0.46) KDM4EMAPK1HIF1ATSHRADRA1A
Aceturic Acid SCHEMBL10710298 0.79 CTH (0.50) KDM4EMAPK1HIF1ATSHRADRA1A
Aceturic Acid SCHEMBL2120015 0.79
Aceturic Acid SCHEMBL31614105 0.79
Aceturic Acid SCHEMBL31348252 0.79
Aceturic Acid SCHEMBL9438413 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137553-A1 Thiazepine Oxazolidinones as Antibacterial Agents PHARMACIA AND UPJOHN COMPANY LLC (US) 2009-05-28 US disclosed
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES PFIZER INC 2008-04-17 US disclosed
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US disclosed
EP-1819702-A1 THIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-08-22 EP disclosed
EP-1819699-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-08-22 EP disclosed
WO-2006056877-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-01 WO disclosed
WO-2006056875-A1 THIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-01 WO disclosed
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 US disclosed
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed
WO-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed
WO-2000010566-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-02 WO disclosed
US-5739155-A Haloalkylthio,-sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO. (US) 1998-04-14 US disclosed
EP-0549866-B1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
US-5484807-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents BASF AKTIENGESELLSCHAFT 1996-01-16 US disclosed
US-5468877-A FOR PROTECTING CROPS AMERICAN CYANAMID COMPANY (US) 1995-11-21 US disclosed
US-5306827-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1994-04-26 US disclosed
US-5284863-A Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
EP-0549866-A1 Haloalkylthio, -sulfinyl and -sulfonyl arylpyrrole insecticidal, acaricidal and fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 EP disclosed
EP-0530515-A1 N-Alkanoylaminomethyl and N-Aroylaminomethyl pyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed
US-5130328-A Lima bean leaves AMERICAN CYANAMID COMPANY (US) 1992-07-14 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-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES OXA1L, CYP51A1, CYP2C19 KDM4E 3561/4885MAPK1 1635/4885HIF1A 2150/4885
US-20090137553-A1 Thiazepine Oxazolidinones as Antibacterial Agents OXA1L, TBCD, CLPP KDM4E 4125/4885MAPK1 3304/4885HIF1A 4401/4885

“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.