Acetic Acid

Acetic Acid

SCHEMBL4133191

CC(=O)O.O=C1NN(Nc2ccc([Na])cc2)N/C1=C/c1ccc2cc(F)ccc2c1

nearest known ligand 0.35

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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 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.33
DHODH Q02127 1/20 0.32
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL4133194 1.00 HDAC4 (0.35) HDAC4HDAC8POLBDHODHPPARG
Acetic Acid SCHEMBL4120110 0.75 MEN1 (0.30) MEN1KMT2A
Propionic Acid SCHEMBL4129234 0.64 CISD1 (0.41) HDAC4HDAC8PPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL27571650 0.58 DHODH (0.53) DHODHPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL6790389 0.58 DHODH (0.53) DHODHPPARGMEN1KMT2A
Acetic Acid SCHEMBL27656395 0.58 CYP1A2 (0.71) POLBDHODHMEN1KMT2A
SCHEMBL6790383 0.56 DHODH (0.50) DHODHPPARGMEN1KMT2A
SCHEMBL22798655 0.56 NPC1 (0.51) POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL6784400 0.55 KDM4E (0.51) HDAC4HDAC8POLBMEN1KMT2A
SCHEMBL16595314 0.55 APP (0.58) POLBMEN1KMT2A

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 HDAC4 2224/4885HDAC8 2162/4885POLB 3123/4885

“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.