Acetic Acid

Acetic Acid

SCHEMBL4514224

CC(=O)O.COCCS(=O)(=O)Oc1cccc(C2(c3cccc(-c4cc(Cl)cnc4F)c3)N=C(N)N(C)C2=O)c1

nearest known ligand 0.49

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 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
BACE2 Q9Y5Z0 13/20 0.49
CTSD P07339 12/20 0.49

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
SCHEMBL4519487 0.96 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL4524954 0.91 BACE1 (0.58) BACE1BACE2CTSD
Acetic Acid SCHEMBL4522917 0.89 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL4520928 0.89 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL4516312 0.85 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4517723 0.85 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL4524456 0.84 BACE1 (0.57) BACE1BACE2CTSD
Acetic Acid SCHEMBL4534634 0.84 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL4530743 0.83 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL4516099 0.82 BACE1 (0.52) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033236-A1 SINGLE-ION CONDUCTING MATERIAL CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2024-02-15 WO claimed
EP-1940774-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-07-09 EP claimed
WO-2007137799-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-06 WO claimed
WO-2024033236-A1 SINGLE-ION CONDUCTING MATERIAL CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2024-02-15 WO disclosed
WO-2023187138-A1 BATTERY SUMITOMO CHEMICAL CO., LTD (JP) 2023-10-05 WO disclosed
CN-114008010-A Isolation of bisphenol A by depolymerization of poly (carbonate) 高新特殊工程塑料全球技术有限公司 2022-02-01 CN disclosed
EP-3898571-A1 PROCESS FOR PREPARING DIALKYL CARBONATE AND ALKANEDIOL Shell Internationale Research Maatschappij B.V. (NL) 2021-10-27 EP disclosed
WO-2021110627-A1 PROCESS FOR REMOVING AN ETHER ALKANOL IMPURITY FROM AN ORGANIC CARBONATE STREAM SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2021-06-10 WO disclosed
WO-2021063853-A1 PROCESS FOR PREPARING DIALKYL CARBONATE AND ALKANEDIOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2021-04-08 WO disclosed
WO-2020126989-A1 PROCESS FOR PREPARING DIALKYL CARBONATE AND ALKANEDIOL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2020-06-25 WO disclosed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP disclosed
EP-1940774-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-07-09 EP disclosed
WO-2007140965-A1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-13 WO disclosed
WO-2007137799-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-06 WO disclosed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
EP-0611214-A2 Acidic composition and process of using same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-17 EP disclosed
EP-0103400-B1 PROCESS FOR MAKING CARBOHYDRAZIDE OLIN CORPORATION (US) 1986-05-14 EP disclosed
US-4496761-A Process for making carbohydrazide OLIN CORPORATION (US) 1985-01-29 US disclosed
EP-0103400-A1 Process for making carbohydrazide OLIN CORPORATION (US) 1984-03-21 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 (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-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 BACE1 14/4885BACE2 30/4885CTSD 3413/4885

“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.