Acetic Acid

Acetic Acid

SCHEMBL319923

CC(=O)O.NCC(N)(N)N

nearest known ligand 0.47

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
FFAR3 O14843 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
KDM4E B2RXH2 2/20 0.42
GLRA1 P23415 1/20 0.39
SLC6A9 P48067 1/20 0.39
OR51E2 Q9H255 1/20 0.39
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GGT1 P19440 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL3641038 1.00 FFAR3 (0.47) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL8516620 1.00 FFAR3 (0.47) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL9846828 0.84 KDM4E (0.46) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL4404139 0.84 KDM4E (0.46) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL6131040 0.84 FFAR3 (0.44) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL11140801 0.81 FFAR3 (0.41) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL28726920 0.81 KDM4E (0.44) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL5710582 0.80 FFAR3 (0.47) FFAR3LCKFYNKDM4EGLRA1
Acetic Acid SCHEMBL28664506 0.80 FFAR3 (0.47) FFAR3LCKFYNGLRA1SLC6A9
Acetic Acid SCHEMBL6662900 0.78 FFAR3 (0.64) FFAR3LCKFYNKDM4EGLRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590977-B1 FLUORESCENT CARBAPENEMS PFAENDLER HANS RUDOLF (DE) 2022-06-29 EP disclosed
US-9969737-B2 Fluorescent carbapenems HANS RUDOLF PFAENDLER (DE) 2018-05-15 US disclosed
US-20160251356-A1 FLUORESCENT CARBAPENEMS PFAENDLER HANS RUDOLF 2016-09-01 US disclosed
US-9296752-B2 Fluorescent carbapenems Pfaendler, Hans R. (DE) 2016-03-29 US disclosed
EP-2590977-A1 FLUORESCENT CARBAPENEMS Pfaendler, Hans Rudolf (DE) 2013-05-15 EP disclosed
US-20130102017-A1 FLUORESCENT CARBAPENEMS Pfaendler, Hans Rudolf (DE) 2013-04-25 US disclosed
WO-2012003955-A1 FLUORESCENT CARBAPENEMS PFAENDLER HANS RUDOLF (DE) 2012-01-12 WO disclosed
EP-1732990-B1 CATIONIC IMIDAZOLAZO DYES CONTAINING A 2,5-DIAMINOPHENYL MOIETY BASF SE (DE) 2011-09-07 EP disclosed
US-7482438-B2 Cationic imidazolazo dyes containing a 2,5-diaminophenyl moiety CIBA SPECIALTY CHEMICALS CORP. (US) 2009-01-27 US disclosed
US-20070214580-A1 Cationic Imidazolazo Dyes Containing A 2,5-Diaminophenyl CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
CN-1965033-A Cationic imidazolazo dyes containing a 2,5-diaminophenyl moiety CIBA SC HOLDING AG (CH) 2007-05-16 CN disclosed
EP-0732098-B1 Polymerizable composition DENTSPLY DETREY GMBH (DE) 2002-06-05 EP disclosed
US-5688883-A CATALYTIC POLYMERIZATION OF ACRYLATES FOR DENTAL SEALS OR ADHESIVES DENTSPLY GMBH (DE) 1997-11-18 US disclosed
EP-0732098-A2 Polymerizable composition DENTSPLY DETREY GmbH (DE) 1996-09-18 EP 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-20130102017-A1 FLUORESCENT CARBAPENEMS MGAM, MCRS1, ADSL FFAR3 2162/4885LCK 4823/4885FYN 4811/4885
US-20160251356-A1 FLUORESCENT CARBAPENEMS MGAM, MCRS1, ADSL FFAR3 2162/4885LCK 4823/4885FYN 4811/4885

“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.