Acetic Acid

Acetic Acid

SCHEMBL321484

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

nearest known ligand 0.40

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
CHRNB4 known ✓ P30926 1/20 0.32
GLRA1 P23415 1/20 0.40
SLC6A9 P48067 1/20 0.40
OR51E2 Q9H255 1/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.36
AOC3 Q16853 2/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TSHR P16473 1/20 0.32
GABRR1 P24046 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30

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
SCHEMBL208805 0.91
Hydrochloric Acid SCHEMBL891027 0.88
Formic Acid SCHEMBL4727690 0.81 ALDH1A1 (0.37) GLRA1SLC6A9OR51E2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL186954 0.80 CHRM2 (0.35) GLRA1SLC6A9OR51E2ALDH1A1GAA
Acetic Acid SCHEMBL1140278 0.75
Acetic Acid SCHEMBL31295652 0.74 ALDH1A1 (0.46) FFAR3LCKFYNALDH1A1CHRNB2
Glycine SCHEMBL8067039 0.74 GLRA1 (0.59) GLRA1SLC6A9OR51E2FFAR3LCK
Acetic Acid SCHEMBL7719638 0.74 ALDH1A1 (0.36) FFAR3LCKFYNALDH1A1CHRNB2
Acetic Acid SCHEMBL1831843 0.73 FFAR3 (0.47) GLRA1SLC6A9OR51E2FFAR3LCK
Acetic Acid SCHEMBL28813128 0.73 FFAR3 (0.47) GLRA1SLC6A9OR51E2FFAR3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-01-12 US disclosed
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2021-01-07 US disclosed
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2020-05-14 US disclosed
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-06-27 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007020521-A1 PYRIDOYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 WO disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed
US-20040235867-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2004-11-25 US disclosed
WO-2003009852-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-06 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 (14 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN CHRNB4 4500/4885GLRA1 4048/4885SLC6A9 2403/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN CHRNB4 4500/4885GLRA1 4048/4885SLC6A9 2403/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN CHRNB4 4500/4885GLRA1 4048/4885SLC6A9 2403/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN CHRNB4 4577/4885GLRA1 4059/4885SLC6A9 2243/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN CHRNB4 4500/4885GLRA1 4048/4885SLC6A9 2403/4885
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GOT2, GLS2, PYGL CHRNB4 4010/4885GLRA1 3359/4885SLC6A9 3709/4885
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, UACA CHRNB4 3842/4885GLRA1 3988/4885SLC6A9 3852/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B CHRNB4 1427/4885GLRA1 3674/4885SLC6A9 1041/4885
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 CHRNB4 2349/4885GLRA1 356/4885SLC6A9 1733/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL CHRNB4 4010/4885GLRA1 3359/4885SLC6A9 3709/4885
US-20040235867-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHRNB4 4737/4885GLRA1 3850/4885SLC6A9 4747/4885
US-20080255153-A1 New compounds SCD, SCD5, FADS2 CHRNB4 4841/4885GLRA1 3514/4885SLC6A9 2937/4885
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, UACA CHRNB4 3842/4885GLRA1 3988/4885SLC6A9 3852/4885
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN CHRNB4 4500/4885GLRA1 4048/4885SLC6A9 2403/4885

“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.