Acetic Acid

Acetic Acid

SCHEMBL3046397

CC(=O)O.CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccc(Cl)cc2Cl)c2ccccc2)cc1)C1CCNCC1

nearest known ligand 0.41

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 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.41
DDR1 Q08345 5/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CXCR3 P49682 3/20 0.36
KLF5 Q13887 1/20 0.36
CYP3A4 P08684 1/20 0.35
GPR27 Q9NS67 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
SCHEMBL15016257 0.91 DDR1 (0.40) DDR1SLC6A2SLC6A4CXCR3
Hydrochloric Acid SCHEMBL3144834 0.91 DDR1 (0.39) DDR1SLC6A2SLC6A4CXCR3
SCHEMBL14686110 0.85 CXCR3 (0.41) SLC6A2SLC6A4CXCR3
SCHEMBL14686058 0.85 CCR2 (0.41) DDR1CXCR3
Hydrochloric Acid SCHEMBL3044582 0.85 CXCR3 (0.41) SLC6A2SLC6A4CXCR3
Hydrochloric Acid SCHEMBL3050648 0.84 CCR2 (0.40) DDR1CXCR3
Acetic Acid SCHEMBL3139279 0.83 CCR2 (0.41) DDR1CXCR3
SCHEMBL14686185 0.83 CXCR3 (0.46) DDR1CXCR3
Hydrochloric Acid SCHEMBL3053635 0.82 SLC6A2 (0.42) PYGLSLC6A2SLC6A4CXCR3KLF5
Hydrochloric Acid SCHEMBL3051815 0.82 CXCR3 (0.46) DDR1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP claimed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US claimed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 US claimed
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 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 (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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 PYGL 4543/4885DDR1 1465/4885SLC6A2 2898/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 PYGL 4561/4885DDR1 1778/4885SLC6A2 2839/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 PYGL 4535/4885DDR1 1859/4885SLC6A2 2683/4885

“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.