Acetic Acid

Acetic Acid

SCHEMBL4127847

CC(=O)O.O=C1N=C(Nc2ccc([Na])cc2)SC1=Cc1ccc(-n2cnnn2)c(OCc2ccccc2)c1

nearest known ligand 0.44

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 9)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.44
ENPP2 Q13822 3/20 0.39
AKR1B1 P15121 2/20 0.39
PTPN1 P18031 4/20 0.38
PTPN2 P17706 3/20 0.38
ACP1 P24666 2/20 0.38
ADAMTS5 Q9UNA0 3/20 0.38
APAF1 O14727 1/20 0.37
KMT2A Q03164 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 SCHEMBL4127844 1.00 CISD1 (0.44) CISD1ENPP2AKR1B1PTPN1PTPN2
Acetic Acid SCHEMBL4137048 0.85 CISD1 (0.37) CISD1PTPN1KMT2A
Acetic Acid SCHEMBL4137046 0.85 CISD1 (0.37) CISD1PTPN1KMT2A
SCHEMBL4133903 0.82 ALDH1A1 (0.40) CISD1ENPP2AKR1B1KMT2A
SCHEMBL4133898 0.82 ALDH1A1 (0.40) CISD1ENPP2AKR1B1KMT2A
Acetic Acid SCHEMBL4136732 0.80 CISD1 (0.45) CISD1AKR1B1PTPN1PTPN2KMT2A
Acetic Acid SCHEMBL4136734 0.80 CISD1 (0.45) CISD1AKR1B1PTPN1PTPN2KMT2A
Acetic Acid SCHEMBL4121362 0.80 KMT2A (0.41) KMT2A
Acetic Acid SCHEMBL4121360 0.80 KMT2A (0.41) KMT2A
Acetic Acid SCHEMBL4137417 0.80 RXFP1 (0.42) KMT2A

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 4 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

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 CISD1 3041/4885ENPP2 841/4885AKR1B1 982/4885

“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.