Acetic Acid

Acetic Acid

SCHEMBL4123820

CC(=O)O.O=C1N=C(Nc2ccc([Na])cc2)S/C1=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL4138655 0.94 ALOX5 (0.46) ALOX5ALDH1A1MAPTPOLB
Propionic Acid SCHEMBL4128553 0.93 ALOX5 (0.46) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4133456 0.92 ALOX5 (0.53) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4133460 0.92 ALOX5 (0.53) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4122564 0.91 MAPT (0.47) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4122563 0.91 MAPT (0.47) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4128829 0.91 ALOX5 (0.46) ALOX5MEN1ALDH1A1MAPTHTT
Acetic Acid SCHEMBL4634804 0.90 MAPT (0.52) ALOX5MEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL4634805 0.90 MAPT (0.52) ALOX5MEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL4129134 0.90 MEN1 (0.43) ALOX5MEN1ALDH1A1MAPTHTT

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
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 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 (1 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-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ ALOX5 3505/4885MEN1 4075/4885ALDH1A1 216/4885

“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.