Acetic Acid

Acetic Acid

SCHEMBL4137417

CC(=O)O.O=C1N=C(Nc2ccc([Na])cc2)S/C1=C\c1ccc(-n2cnnn2)cc1

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
KCNJ1 P48048 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 2/20 0.36
CYP3A4 P08684 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SYK P43405 1/20 0.36

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 SCHEMBL4137421 1.00 RXFP1 (0.42) RXFP1KCNJ1L3MBTL1KDM4EMEN1
Acetic Acid SCHEMBL4121362 0.89 KMT2A (0.41) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL4121766 0.85 ALDH1A1 (0.42) RXFP1KCNJ1L3MBTL1KDM4EMEN1
Acetic Acid SCHEMBL4125535 0.83 MAPT (0.41) KDM4EMEN1KMT2ARAB9AALDH1A1
Acetic Acid SCHEMBL4125537 0.83 MAPT (0.41) KDM4EMEN1KMT2ARAB9AALDH1A1
Acetic Acid SCHEMBL4668295 0.81 MEN1 (0.39) KDM4EMEN1KMT2ARAB9AALDH1A1
Acetic Acid SCHEMBL4635141 0.81 ALOX5 (0.52) L3MBTL1KDM4EMEN1KMT2ARAB9A
Acetic Acid SCHEMBL4668290 0.81 MEN1 (0.39) KDM4EMEN1KMT2ARAB9AALDH1A1
Acetic Acid SCHEMBL4131997 0.81 ALOX5 (0.52) L3MBTL1KDM4EMEN1KMT2ARAB9A
Acetic Acid SCHEMBL4123820 0.81 ALOX5 (0.44) MEN1KMT2AALDH1A1MAPTHTT

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 6 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
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO 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 RXFP1 2939/4885KCNJ1 2306/4885L3MBTL1 4477/4885

“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.