Acetic Acid

Acetic Acid

SCHEMBL524721

CC(=O)O.CC(C)(O)c1ccccc1C(CCSCC1CC1)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 0.58

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 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.58
CYSLTR1 Q9Y271 17/20 0.58

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 SCHEMBL5521186 1.00 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL3234021 0.97 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL5694750 0.97 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL524722 0.92 CYSLTR2 (0.52) CYSLTR2CYSLTR1
SCHEMBL20490657 0.92 CYSLTR2 (0.52) CYSLTR2CYSLTR1
SCHEMBL5521192 0.92 CYSLTR2 (0.52) CYSLTR2CYSLTR1
SCHEMBL589317 0.85 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL209124 0.85 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL5971548 0.85 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL227362 0.85 CYSLTR2 (0.75) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
EP-3925607-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-12-22 EP disclosed
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 US disclosed
EP-3424534-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2021-06-02 EP disclosed
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-20 US disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
WO-2008049875-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
US-20070282276-A1 PROCESS AND DEVICE FOR DOSING PHARMACEUTICAL AGENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-12-06 US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070240714-A1 DISPENSING DEVICE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070163574-A1 DISPENSING DEVICE, STORAGE DEVICE AND METHOD FOR DISPENSING A FORMULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-19 US disclosed
US-20070154407-A1 INHALER AND STORE FOR A DRY MEDICAMENT FORMULATION AND RELATED METHODS AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 US disclosed
WO-2007051536-A1 METHOD AND DEVICE FOR METERING MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2007-05-10 WO disclosed
US-20060258861-A1 Respiratory or gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 US disclosed
US-20060247230-A1 Novel Piperidine-Substituted Indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 US disclosed
US-20060134007-A1 Blister for inhalers BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-22 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 (8 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-20060258861-A1 Respiratory or gastrointestinal disorders; cancer CYP2E1, UGT1A1, SLC26A4 CYSLTR2 488/4885CYSLTR1 204/4885
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 CYSLTR2 334/4885CYSLTR1 197/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 CYSLTR2 334/4885CYSLTR1 197/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 CYSLTR2 39/4885CYSLTR1 25/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYSLTR2 265/4885CYSLTR1 166/4885
US-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 CYSLTR2 250/4885CYSLTR1 130/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 CYSLTR2 334/4885CYSLTR1 197/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 CYSLTR2 992/4885CYSLTR1 498/4885

“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.