Acetic Acid

Acetic Acid

SCHEMBL4125926

CC(=O)O.CN(C)c1ccc(-c2ccc(/C=C3/SC(Nc4ccc([Na])cc4)=NC3=O)cc2)cc1

nearest known ligand 0.43

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
ALOX5 P09917 13/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
IDE P14735 1/20 0.43
ACKR3 P25106 1/20 0.41
CCR5 P51681 1/20 0.41
POLB P06746 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TNNC1 P63316 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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 SCHEMBL4125929 1.00 ALOX5 (0.43) ALOX5MEN1KMT2ANPC1IDE
Acetic Acid SCHEMBL4123820 0.89 ALOX5 (0.44) ALOX5MEN1KMT2APOLBGSK3A
Acetic Acid SCHEMBL4123822 0.89 ALOX5 (0.44) ALOX5MEN1KMT2APOLBGSK3A
Acetic Acid SCHEMBL4133456 0.89 ALOX5 (0.53) ALOX5MEN1KMT2ATNNI3TNNT2
Acetic Acid SCHEMBL4133460 0.89 ALOX5 (0.53) ALOX5MEN1KMT2ATNNI3TNNT2
Acetic Acid SCHEMBL4122563 0.88 MAPT (0.47) ALOX5MEN1KMT2ANPC1POLB
Acetic Acid SCHEMBL4122564 0.88 MAPT (0.47) ALOX5MEN1KMT2ANPC1POLB
Acetic Acid SCHEMBL4128833 0.88 ALOX5 (0.46) ALOX5MEN1KMT2APOLBGSK3A
Acetic Acid SCHEMBL4128829 0.88 ALOX5 (0.46) ALOX5MEN1KMT2APOLBGSK3A
Acetic Acid SCHEMBL4634804 0.87 MAPT (0.52) ALOX5MEN1KMT2ANPC1GSK3A

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 ALOX5 3505/4885MEN1 4075/4885KMT2A 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.