Acetic Acid

Acetic Acid

SCHEMBL4134639

CC(=O)O.COc1ccc2cc(C=C3SC(Nc4ccc([Na])cc4)=NC3=O)ccc2c1

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.51
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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 SCHEMBL4134637 1.00 ALOX5 (0.51) ALOX5HDAC4HDAC8MEN1MITF
Acetic Acid SCHEMBL4132773 0.89 ALOX5 (0.47) ALOX5MEN1ALDH1A1MAPTRAB9A
Acetic Acid SCHEMBL4132772 0.89 ALOX5 (0.47) ALOX5MEN1ALDH1A1MAPTRAB9A
Acetic Acid SCHEMBL4137187 0.89 ALOX5 (0.48) ALOX5HDAC4HDAC8MEN1MITF
Acetic Acid SCHEMBL4137182 0.89 ALOX5 (0.48) ALOX5HDAC4HDAC8MEN1MITF
Acetic Acid SCHEMBL4635017 0.88 ALOX5 (0.55) ALOX5
Acetic Acid SCHEMBL4137023 0.88 ALOX5 (0.55) ALOX5
Acetic Acid SCHEMBL4129259 0.87 PPARG (0.38) ALOX5HDAC4HDAC8MEN1ALDH1A1
Acetic Acid SCHEMBL4129255 0.87 PPARG (0.38) ALOX5HDAC4HDAC8MEN1ALDH1A1
Acetic Acid SCHEMBL4128669 0.87 ALOX5 (0.42) ALOX5MEN1ALDH1A1MAPTHPGD

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 3505/4885HDAC4 2224/4885HDAC8 2162/4885

“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.