Acetic Acid

Acetic Acid

SCHEMBL4127358

CC(=O)O.O=C1N=C(Nc2ccc3[n-]ccc3c2)S/C1=C/c1cc2ccccc2cc1OCc1ccccc1.[Na+]

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 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 5/20 0.46
CISD1 Q9NZ45 1/20 0.39
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.34
BLM P54132 1/20 0.34
PLA2G1B P04054 1/20 0.34
HTT P42858 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 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
Acetic Acid SCHEMBL4127361 1.00 PTP4A3 (0.46) PTP4A3CISD1CTSVCTSLMEN1
Acetic Acid SCHEMBL4125639 0.84 PTP4A3 (0.48) PTP4A3CISD1CTSVCTSLMEN1
Acetic Acid SCHEMBL4125635 0.84 PTP4A3 (0.48) PTP4A3CISD1CTSVCTSLMEN1
SCHEMBL4125736 0.81 PTP4A3 (0.50) PTP4A3CISD1MEN1KMT2ATDP1
SCHEMBL4125733 0.81 PTP4A3 (0.50) PTP4A3CISD1MEN1KMT2ATDP1
SCHEMBL4133685 0.80 PTP4A3 (0.49) PTP4A3CISD1CTSVCTSLMEN1
SCHEMBL4133682 0.80 PTP4A3 (0.49) PTP4A3CISD1CTSVCTSLMEN1
Acetic Acid SCHEMBL4129246 0.80 PTP4A3 (0.44) PTP4A3CISD1MEN1KMT2ATDP1
Acetic Acid SCHEMBL4129247 0.80 PTP4A3 (0.44) PTP4A3CISD1MEN1KMT2ATDP1
Propionic Acid SCHEMBL4133739 0.80 PTP4A3 (0.47) PTP4A3CISD1CTSVCTSLMEN1

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 PTP4A3 26/4885CISD1 3041/4885CTSV 4360/4885

“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.