Acetic Acid

Acetic Acid

SCHEMBL936323

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCC(N)CN

nearest known ligand 0.61

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
SLC1A3 P43003 1/20 0.46
CA2 P00918 2/20 0.43
MAPK1 P28482 1/20 0.43
DPP7 Q9UHL4 2/20 0.42
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CA1 P00915 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
S1PR2 O95136 4/20 0.40
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR4 O95977 3/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
SLC15A1 P46059 1/20 0.40

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 SCHEMBL6936869 0.94 ALDH1A1 (0.48) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
Acetic Acid SCHEMBL28361108 0.92 ALDH1A1 (0.52) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
Acetic Acid SCHEMBL11789825 0.92 ALDH1A1 (0.52) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
Acetic Acid SCHEMBL4073581 0.92 ALDH1A1 (0.52) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
Acetic Acid SCHEMBL28837440 0.90 ALDH1A1 (0.50) ALDH1A1SLC1A2SLC1A1S1PR2S1PR1
Acetic Acid SCHEMBL852247 0.86 ALDH1A1 (0.48) ALDH1A1SLC1A2SLC1A1SLC1A3DPP7
Acetic Acid SCHEMBL5674651 0.86 ALDH1A1 (0.48) ALDH1A1SLC1A2SLC1A1SLC1A3DPP7
SCHEMBL4323430 0.86
SCHEMBL132040 0.86
SCHEMBL18271391 0.86

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603954-B2 Methods for generating radioimmunoconjugates ACTINIUM PHARMACEUTICALS INC. (US) 2017-03-28 US claimed
US-20120220754-A1 METHODS FOR GENERATING RADIOIMMUNOCONJUGATES ACTINIUM PHARMACEUTICALS INC. (US) 2012-08-30 US claimed
EP-2456472-A1 METHODS FOR GENERATING RADIOIMMUNOCONJUGATES Actinium Pharmaceuticals Inc. (US) 2012-05-30 EP claimed
WO-2011011592-A1 METHODS FOR GENERATING RADIOIMMUNOCONJUGATES ACTINIUM PHARMACEUTICALS INC. (US) 2011-01-27 WO claimed
EP-2155162-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME Bausch & Lomb Incorporated (US) 2010-02-24 EP claimed
WO-2008137496-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB INCORPORATED (US) 2008-11-13 WO claimed
US-20080275000-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME SALIX PHARMACEUTICALS, INC. 2008-11-06 US claimed
US-20070009435-A1 Compositions and methods for enhanced delivery to target sites GENERAL ELECTRIC COMPANY 2007-01-11 US claimed
US-20070009428-A1 Compounds and methods for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2007-01-11 US claimed
US-20070009427-A1 Compounds and methods for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2007-01-11 US claimed
US-20060058218-A1 Solid phase conjugation of complexing agents and targeting moieties GENERAL ELECTRIC COMPANY (US) 2006-03-16 US claimed
US-6983801-B2 Well treatment fluid compositions and methods for their use BJ SERVICES COMPANY (US) 2006-01-10 US claimed
US-20050260131-A1 Pharmaceuticals for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2005-11-24 US claimed
WO-2005018680-A1 TARGET-SPECIFIC ACTIVATABLE POLYMERIC IMAGING AGENTS GENERAL ELECTRIC COMPANY (US) 2005-03-03 WO claimed
US-20050036947-A1 polyamino acid, wherein at least 90 percent of the amino acid residues are conjugated to signal-generating moieties attached to signal-controlling moieties via bonds that are cleavable by a physiological substance produced by the target; used in detecting and/or diagnosing of diseases; MRI GENERAL ELECTRIC COMPANY 2005-02-17 US claimed
US-20050016733-A1 Well treatment fluid compositions and methods for their use COMBINED SYSTEMS, INC. 2005-01-27 US claimed
WO-2005004992-A2 MAGNETIC RESONANCE CONTRAST-ENHANCING AGENTS AND METHOD FOR DETECTING AND IMAGING ARTHEROSCLEROTIC PLAQUE GENERAL ELECTRIC COMPANY (A NEW YORK CORPORATION) (US) 2005-01-20 WO claimed
US-20040265235-A1 Magnetic resonance contrast-enhancing agents and method for detecting and imaging artherosclerotic plaque GENERAL ELECTRIC COMPANY 2004-12-30 US claimed
US-20020125012-A1 Well treatment fluid compositions and methods for their use BJ SERVICES COMPANY 2002-09-12 US claimed
WO-2002055843-A1 WELL TREATMENT FLUID COMPOSITIONS AND METHODS FOR THEIR USE BJ SERVICES COMPANY (US) 2002-07-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050260131-A1 Pharmaceuticals for enhanced delivery to disease targets DNPEP, IAPP, PCSK9 ALDH1A1 4708/4885SLC1A2 1223/4885SLC1A1 1430/4885
US-20070009428-A1 Compounds and methods for enhanced delivery to disease targets SERPINA6, PAICS, FABP1 ALDH1A1 844/4885SLC1A2 1199/4885SLC1A1 1094/4885
US-20080275000-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME PDE6D, PDE6H, CA2 ALDH1A1 993/4885SLC1A2 1640/4885SLC1A1 1735/4885
US-20070009427-A1 Compounds and methods for enhanced delivery to disease targets SELPLG, FABP1, PIGO ALDH1A1 1025/4885SLC1A2 1103/4885SLC1A1 905/4885
US-20060058218-A1 Solid phase conjugation of complexing agents and targeting moieties PCNA, SSU72, RNGTT ALDH1A1 3999/4885SLC1A2 1529/4885SLC1A1 1126/4885
US-20070009435-A1 Compositions and methods for enhanced delivery to target sites PAICS, APOB, ABCG2 ALDH1A1 3941/4885SLC1A2 2005/4885SLC1A1 1194/4885

“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.