Acetic Acid

Acetic Acid

SCHEMBL4128299

CC(=O)O.N#Cc1ccccc1-c1ccc(COc2ccccc2/C=C2/SC(Nc3ccc([Na])cc3)=NC2=O)cc1

nearest known ligand 0.40

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
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
KMT2A Q03164 9/20 0.39
MEN1 O00255 8/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PPARG P37231 2/20 0.37
PSMD14 O00487 1/20 0.37
HPGD P15428 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
DUSP26 Q9BV47 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
POLB P06746 4/20 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 SCHEMBL4128303 1.00 FFAR1 (0.40) FFAR1AKR1B1KMT2AMEN1MAPK1
Acetic Acid SCHEMBL4132527 0.92 PTPN1 (0.40) FFAR1AKR1B1KMT2AMEN1PTPN1
Acetic Acid SCHEMBL4128677 0.92 PTPN1 (0.40) FFAR1AKR1B1KMT2AMEN1PTPN1
Acetic Acid SCHEMBL4128382 0.87 KMT2A (0.47) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL4128384 0.87 KMT2A (0.47) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Acetic Acid SCHEMBL4134046 0.82 PTPN1 (0.51) KMT2AMEN1PTPN1ALDH1A1MAPT
Acetic Acid SCHEMBL4134045 0.82 PTPN1 (0.51) KMT2AMEN1PTPN1ALDH1A1MAPT
Acetic Acid SCHEMBL4125639 0.79 PTP4A3 (0.48) KMT2AMEN1MAPK1SMN1; SMN2PTPN1
Acetic Acid SCHEMBL4125635 0.79 PTP4A3 (0.48) KMT2AMEN1MAPK1SMN1; SMN2PTPN1
Acetic Acid SCHEMBL4635119 0.79 TDP1 (0.44) KMT2AMEN1MAPK1SMN1; SMN2PTPN1

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 FFAR1 1878/4885AKR1B1 982/4885KMT2A 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.