Acetic Acid

Acetic Acid

SCHEMBL3578727

CC(=O)O.CN(C)CCN

nearest known ligand 0.39

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 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PAOX Q6QHF9 2/20 0.33
GABRR1 P24046 2/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
KDM4A O75164 6/20 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 SCHEMBL7124420 1.00 FFAR3 (0.39) FFAR3LCKFYNCYP2C9CYP2C19
Acetic Acid SCHEMBL29175008 1.00 FFAR3 (0.39) FFAR3LCKFYNCYP2C9CYP2C19
Acetic Acid SCHEMBL11467288 0.97 CYP2C9 (0.37) FFAR3LCKFYNCYP2C9CYP2C19
Bicarbonate SCHEMBL30077198 0.92 CYP2C9 (0.40) CYP2C9CYP2C19MAPTCHRM2CHRM4
Carbamic Acid SCHEMBL5488417 0.89 ACHE (0.39) CYP2C9CYP2C19MAPTCHRM2CHRM4
Oxalic Acid SCHEMBL5863149 0.89 CYP2C9 (0.39) CYP2C9CYP2C19MAPTCHRM2CHRM4
Urea SCHEMBL4966379 0.86 CYP2C9 (0.40) CYP2C9CYP2C19MAPTCHRM2CHRM4
Methacrylic Acid SCHEMBL17453355 0.85 TDP1 (0.36) CYP2C9CYP2C19MAPTCHRM2CHRM4
Acetic Acid SCHEMBL3260807 0.84 TDP1 (0.48) CYP2C9CYP2C19CHRM2TDP1PAOX
Acetic Acid SCHEMBL11467289 0.84 CA1 (0.40) CYP2C9CYP2C19MAPTCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 US claimed
CN-104619894-B Compositions and methods for negative selection of undesired nucleic acid sequences 纽亘技术公司 2017-06-06 CN disclosed
WO-2013040094-A1 METHODS AND APPARATUS FOR CARBON DIOXIDE CAPTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-03-21 WO disclosed
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 US disclosed
EP-2076512-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-07-08 EP disclosed
WO-2008044022-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-17 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 (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-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors JAK1, MTOR, MOK FFAR3 1643/4885LCK 97/4885FYN 394/4885

“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.