Acetic Acid

Acetic Acid

SCHEMBL4132382

CC(=O)O.CSc1ccc(-c2ccc(C=C3SC(Nc4ccc([Na])cc4)=NC3=O)c(F)c2)cc1

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
CSF1R P07333 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 2/20 0.33
NSD2 O96028 1/20 0.33
APEX1 P27695 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PTGS2 P35354 1/20 0.31

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 SCHEMBL4132379 1.00 MAPT (0.37) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4137467 0.91 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4137474 0.91 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4140570 0.88 ALOX5 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4140571 0.88 ALOX5 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4634805 0.86 MAPT (0.52) MAPTALDH1A1KMT2AMEN1NPC1
Acetic Acid SCHEMBL4634804 0.86 MAPT (0.52) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL4137473 0.85 MAPT (0.37) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4131667 0.79 ALOX5 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
Acetic Acid SCHEMBL4131663 0.79 ALOX5 (0.41) MAPTALDH1A1KMT2AMEN1KDM4E

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 MAPT 3532/4885ALDH1A1 216/4885KMT2A 2895/4885

“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.