Acetic Acid

Acetic Acid

SCHEMBL4136734

CC(=O)O.O=C1N=C(Nc2ccc([Na])cc2)SC1=Cc1ccc2cc(OCc3ccccc3)ccc2c1

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
CISD1 Q9NZ45 1/20 0.45
ALOX5 P09917 4/20 0.44
HDAC4 P56524 5/20 0.43
HDAC8 Q9BY41 3/20 0.43
PTPN1 P18031 5/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AKR1B1 P15121 2/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC25B P30305 1/20 0.39
PTPN11 Q06124 1/20 0.39

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 SCHEMBL4136732 1.00 CISD1 (0.45) CISD1ALOX5HDAC4HDAC8PTPN1
Acetic Acid SCHEMBL4132772 0.87 ALOX5 (0.47) CISD1ALOX5PTPN1AKR1B1MEN1
Acetic Acid SCHEMBL4132773 0.87 ALOX5 (0.47) CISD1ALOX5PTPN1AKR1B1MEN1
Acetic Acid SCHEMBL4134639 0.86 ALOX5 (0.51) ALOX5HDAC4HDAC8HPGDMEN1
Acetic Acid SCHEMBL4134637 0.86 ALOX5 (0.51) ALOX5HDAC4HDAC8HPGDMEN1
Acetic Acid SCHEMBL4125639 0.83 PTP4A3 (0.48) CISD1PTPN1POLBMEN1KMT2A
Acetic Acid SCHEMBL4125635 0.83 PTP4A3 (0.48) CISD1PTPN1POLBMEN1KMT2A
Propionic Acid SCHEMBL4295430 0.83 ALOX5 (0.45) CISD1ALOX5HDAC4HDAC8PTPN1
Acetic Acid SCHEMBL4129259 0.82 PPARG (0.38) CISD1ALOX5HDAC4HDAC8POLB
Acetic Acid SCHEMBL4129255 0.82 PPARG (0.38) CISD1ALOX5HDAC4HDAC8POLB

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 CISD1 3041/4885ALOX5 3505/4885HDAC4 2224/4885

“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.