Acetic Acid

Acetic Acid

SCHEMBL3032117

CC(=O)O.OCc1ccc(CCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.40

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
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
S1PR1 P21453 2/20 0.39
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SLC13A5 Q86YT5 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TNNC1 P63316 5/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3038595 0.89 CHKA (0.38) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL3032112 0.77 ALDH1A1 (0.51) S1PR1ALDH1A1
SCHEMBL3045440 0.77 CHKA (0.35) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL3427358 0.75 CA2 (0.35) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL3426890 0.75 CA2 (0.35) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL15263110 0.74 CYP1A2 (0.46) ALDH1A1
SCHEMBL9242943 0.74 ESR1 (0.54) ALDH1A1HSD17B10
SCHEMBL775755 0.70 LMNA (0.41) ALDH1A1TSHR
SCHEMBL24336004 0.69 LPL (0.52) TSHR
SCHEMBL3042260 0.69 CYP2A6 (0.35) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS LLC (US) 2025-09-25 US disclosed
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELLTAXIS, LLC (US) 2024-12-24 US disclosed
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS LLC (US) 2023-08-10 US disclosed
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase Celltaxsis, LLC (US) 2022-03-08 US disclosed
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2020-10-01 US disclosed
EP-3205644-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2017-08-16 EP disclosed
EP-1976828-B1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-12-21 EP disclosed
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-09-22 US disclosed
US-9315509-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2016-04-19 US disclosed
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE DOMAIN PARTNERS VIII, L.P. 2015-03-19 US disclosed
US-8569303-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2013-10-29 US disclosed
US-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. 2013-05-16 US disclosed
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase ESTRELLITA PHARMACEUTICALS, LLC 2010-08-19 US disclosed
US-7737145-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase ESTRELLITA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
EP-1976828-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Schering Aktiengesellschaft (DE) 2008-10-08 EP disclosed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 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 (10 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-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PPARA 2040/4885PPARG 3000/4885S1PR1 811/4885

“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.