Acetic Acid

Acetic Acid

SCHEMBL3059402

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

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
HTT P42858 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
Acetic Acid SCHEMBL437807 1.00 MEN1 (0.35) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18334616 1.00 MEN1 (0.35) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL439321 1.00 MEN1 (0.35) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL5272793 0.97 MEN1 (0.34) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL167529 0.94 MEN1 (0.38) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18104058 0.93 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL7717187 0.91 MEN1 (0.36) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL7709080 0.90 MEN1 (0.38) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL169764 0.90 MEN1 (0.42) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL14134777 0.89

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-7781452-B2 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-24 US disclosed
EP-1737862-A4 IMIDAZOPYRIDINE COMPOUND EISAI R&D MAN CO LTD (JP) 2007-11-28 EP disclosed
EP-1737862-A1 IMIDAZOPYRIDINE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-01-03 EP disclosed
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-27 US disclosed
US-20050272764-A1 Imidazopyridine compound EISAI CO., LTD. 2005-12-08 US disclosed
WO-2005103049-A1 IMIDAZOPYRIDINE COMPOUND EISAI R & D MANAGEMENT CO., LTD. (JP) 2005-11-03 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 (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-20050272764-A1 Imidazopyridine compound H1-3, KCNH2, H1-4 MEN1 416/4885MAPT 2665/4885KMT2A 657/4885
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents HRH2, HRH4, GRPR MEN1 1845/4885MAPT 4820/4885KMT2A 2990/4885

“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.