Acetic Acid

Acetic Acid

SCHEMBL1341087

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

nearest known ligand 0.38

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 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.33
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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 SCHEMBL369080 1.00 MAPT (0.38) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL426250 0.94 MEN1 (0.37) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL4410135 0.94 MEN1 (0.37) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL6112028 0.94 MEN1 (0.37) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL167196 0.91 MEN1 (0.38) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL18104058 0.91 MEN1 (0.40) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL167529 0.88 MEN1 (0.38) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL9025723 0.88 MEN1 (0.39) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL3295013 0.88 MEN1 (0.39) MAPTMEN1KMT2AATML3MBTL1
Acetic Acid SCHEMBL4704955 0.88 MAPT (0.40) MAPTMEN1KMT2AATML3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (3 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL MAPT 4693/4885MEN1 2277/4885KMT2A 4150/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL MAPT 4668/4885MEN1 1767/4885KMT2A 4322/4885
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 MAPT 11/4885MEN1 3013/4885KMT2A 4769/4885

“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.