Acetic Acid

Acetic Acid

SCHEMBL324428

CC(=O)O.CC(=O)O.CCCCCCC(CCCCCC)C(=O)OCC

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.53
CA2 P00918 3/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CA1 P00915 1/20 0.44
MAPK1 P28482 1/20 0.44

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 SCHEMBL1767861 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL690750 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL8675920 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL615639 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL4741906 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL1929473 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
Acetic Acid SCHEMBL3260062 1.00 CPB2 (0.53) CPB2CA2GRIK1GRIK2GPR84
SCHEMBL25341592 0.94 CPB2 (0.58) CPB2CA2GRIK1GRIK2GPR84
SCHEMBL571313 0.94 CPB2 (0.58) CPB2CA2GRIK1GRIK2GPR84
SCHEMBL19148651 0.94 CPB2 (0.58) CPB2CA2GRIK1GRIK2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415468-B Electro-optical polymers 国立研究开发法人情报通信研究机构 2024-06-07 CN disclosed
CN-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 CN disclosed
CN-113264967-B Programmed death ligand-1 targeted compound and preparation method and application thereof 江苏省原子医学研究所 2023-04-18 CN disclosed
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
CN-109415468-A Electrooptics polymer 国立研究开发法人情报通信研究机构 2019-03-01 CN disclosed
EP-3081553-B1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIV TSUKUBA (JP) 2018-12-12 EP disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
EP-2704246-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTRICAL STORAGE DEVICE UTILIZING SAME, AND CYCLIC SULFONIC ACID ESTER COMPOUND UBE INDUSTRIES (JP) 2017-08-23 EP disclosed
US-9608287-B2 Non-aqueous electrolytic solution, electrical storage device utilizing same, and cyclic sulfonic acid ester compound UBE INDUSTRIES, LTD. (JP) 2017-03-28 US disclosed
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2016-12-15 US disclosed
EP-0412542-A2 Cyclic neurokinin antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-13 EP disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
US-4918170-A Process for producing gangliosides WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0353474-A2 Glycerin derivative and its pharmacological use Eisai Co., Ltd. (JP) 1990-02-07 EP disclosed
CN-1039414-A Glycerol derivatives and pharmaceutical use thereof EISAI CO LTD (JP) 1990-02-07 CN disclosed
EP-0347802-A2 Neurokinin A antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-27 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 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-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 CPB2 2871/4885CA2 226/4885GRIK1 400/4885

“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.