Acetic Acid

Acetic Acid

SCHEMBL718896

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

nearest known ligand 0.54

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
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HTT P42858 1/20 0.46
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
CES2 O00748 1/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 3/20 0.35
PAM P19021 2/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
GPR84 Q9NQS5 2/20 0.34
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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 SCHEMBL11385 1.00 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4953759 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL503887 0.95 CYP4F2 (0.56) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1925892 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL8518463 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6531912 0.95 CYP4F2 (0.56) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1921958 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL8601641 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL717375 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL433597 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1

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
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
CN-101160306-B Benzimidazole compounds EISAI R&D MAN CO LTD 2011-11-02 CN disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
CN-101208302-A Novel 4-aminopiperidine derivatives as plasmepsin ii inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2008-06-25 CN disclosed
CN-101160306-A Benzimidazole compounds EISAI R&D MAN CO LTD (JP) 2008-04-09 CN disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
EP-0858464-B1 THROMBIN INHIBITORS AKZO NOBEL NV (NL) 2003-05-07 EP disclosed
US-6534495-B1 Anticoagulants that prevent thrombin-related diseases. AKZO NEBEL (NL) 2003-03-18 US disclosed
US-20020142967-A1 Thrombin inhibitors ADANG A E P (NL) 2002-10-03 US disclosed
US-6432921-B2 OLIGOPEPTIDES AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-20010007764-A1 THROMBIN INHIBITORS N.V. ORGANON (NL) 2001-07-12 US disclosed
EP-0979240-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 2000-02-16 EP disclosed
CN-1202902-A Thrombin inhibitors AKZO NOBEL NV (NL) 1998-12-23 CN disclosed
WO-1998050420-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1998-11-12 WO disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 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 (5 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-20020142967-A1 Thrombin inhibitors SERPINC1, DAO, CTRL MEN1 4623/4885MAPT 4165/4885KMT2A 3042/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 MEN1 3215/4885MAPT 4704/4885KMT2A 3821/4885
US-20010007764-A1 THROMBIN INHIBITORS SERPINC1, DAO, F2 MEN1 3876/4885MAPT 3827/4885KMT2A 2263/4885
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD MEN1 1786/4885MAPT 3156/4885KMT2A 2973/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 MEN1 2954/4885MAPT 4733/4885KMT2A 4213/4885

“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.