Acetic Acid

Acetic Acid

SCHEMBL1334243

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(CCCCCCC)CCCCCCC(CCCCCCC)(C(=O)O)C(CCCCCCC)(CCCCCCC)C(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 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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 SCHEMBL9376014 0.88 MEN1 (0.35) GPR84FFAR1MAPTPPARDMEN1
Acetic Acid SCHEMBL4292824 0.88 MEN1 (0.35) GPR84FFAR1MAPTPPARDMEN1
SCHEMBL5178373 0.88 CES2 (0.38) GPR84FFAR1PPARDMEN1KMT2A
Acetic Acid SCHEMBL8652586 0.88 HSPD1 (0.35) HSPD1BLMHSPE1GPR84FFAR1
Acetic Acid SCHEMBL14152956 0.88 HSPD1 (0.35) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL5665231 0.87 CES2 (0.39) GPR84FFAR1PPARDMEN1KMT2A
SCHEMBL2682265 0.87 CES2 (0.39) GPR84FFAR1PPARDMEN1KMT2A
SCHEMBL5179328 0.87 CES2 (0.39) GPR84FFAR1PPARDMEN1KMT2A
SCHEMBL5983660 0.87 CES2 (0.39) GPR84FFAR1PPARDMEN1KMT2A
SCHEMBL4057603 0.87 CES2 (0.39) GPR84FFAR1PPARDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
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

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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 HSPD1 426/4885BLM 3474/4885HSPE1 257/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 HSPD1 426/4885BLM 3474/4885HSPE1 257/4885

“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.