Acetic Acid

Acetic Acid

SCHEMBL4140463

CC(=O)O.O=C(O)COc1cc2ccccc2cc1/C=C1/SC(Nc2ccc([Na])cc2)=NC1=O

nearest known ligand 0.41

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
TDP1 Q9NUW8 3/20 0.41
PTPN22 Q9Y2R2 1/20 0.38
PTP4A3 O75365 3/20 0.37
MEN1 O00255 9/20 0.37
KMT2A Q03164 9/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
RECQL P46063 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 3/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PTPN7 P35236 1/20 0.36
PTPN12 Q05209 1/20 0.36
GAA P10253 3/20 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 SCHEMBL4140466 1.00 TDP1 (0.41) TDP1PTPN22PTP4A3MEN1KMT2A
Acetic Acid SCHEMBL4635217 0.92 CHEK1 (0.39) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4635218 0.92 CHEK1 (0.39) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4125635 0.90 PTP4A3 (0.48) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4125639 0.90 PTP4A3 (0.48) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4133421 0.90 PTP4A3 (0.40) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4133426 0.90 PTP4A3 (0.40) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4136576 0.89 ALOX5 (0.42) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4136579 0.89 ALOX5 (0.42) TDP1PTP4A3MEN1KMT2AMAPT
Acetic Acid SCHEMBL4129247 0.87 PTP4A3 (0.44) TDP1PTP4A3MEN1KMT2AMAPT

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 TDP1 1151/4885PTPN22 30/4885PTP4A3 26/4885

“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.