Acetic Acid

Acetic Acid

SCHEMBL4132710

CC(=O)O.O=C1N=C(Nc2ccc([Na])cc2)SC1=Cc1ccc(-c2cccs2)s1

nearest known ligand 0.45

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 8/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.38
ALOX5 P09917 1/20 0.38
DPP4 P27487 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
CTRC Q99895 1/20 0.36
RECQL P46063 2/20 0.35

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 SCHEMBL4132015 0.87 TDP1 (0.44) MAPTALDH1A1KMT2AMEN1HPGD
Acetic Acid SCHEMBL4132014 0.87 TDP1 (0.44) MAPTALDH1A1KMT2AMEN1HPGD
Acetic Acid SCHEMBL4123820 0.74 ALOX5 (0.44) MAPTALDH1A1KMT2AMEN1ALOX5
Acetic Acid SCHEMBL4123822 0.74 ALOX5 (0.44) MAPTALDH1A1KMT2AMEN1ALOX5
Acetic Acid SCHEMBL4125535 0.73 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
Acetic Acid SCHEMBL4125537 0.73 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
Acetic Acid SCHEMBL4128248 0.73 TDP1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
Acetic Acid SCHEMBL4128245 0.73 TDP1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
Acetic Acid SCHEMBL4129134 0.72 MEN1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
Acetic Acid SCHEMBL4132773 0.72 ALOX5 (0.47) MAPTALDH1A1KMT2AMEN1LMNA

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 2 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
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.