Acetic Acid

Acetic Acid

SCHEMBL7005590

CC(=O)O.Cn1cc(-c2c[nH]c(=O)n2-c2cn(Cc3cccc(CN)c3)c3ccccc23)c2ccccc21

nearest known ligand 0.46

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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 18)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 4/20 0.44
PRKCA P17252 4/20 0.44
PRKCD Q05655 2/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PIM1 P11309 1/20 0.39
CAMK2D Q13557 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TPSAB1 Q15661 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 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
SCHEMBL7007072 0.96 PRKCA (0.45) PRKCBPRKCAPRKCDPRKCHPRKCE
SCHEMBL7008945 0.80 PRKACA (0.43) PRKCBPRKCAPRKCDPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL7006503 0.79 TPSAB1 (0.43) CAMK2DSIRT2TPSAB1CA12CA1
SCHEMBL7007161 0.79 CAMK2D (0.57) PRKCAPIM1CAMK2DCCNT1CDK9
Trifluoroacetic Acid SCHEMBL7007891 0.77 CAMK2D (0.49) PRKCBPRKCAPRKCDPRKCHPRKCE
SCHEMBL6977921 0.77 PIM1 (0.42) PRKCBPRKCAPRKCDPRKCHPRKCE
SCHEMBL6974638 0.76 PRKCB (0.40) PRKCBPRKCAPRKCDPRKCHPRKCE
Trifluoroacetic Acid SCHEMBL6981001 0.75 TPSAB1 (0.41) PRKCBPRKCAPRKCDPRKCHPRKCE
SCHEMBL8065185 0.75 PRKCA (0.68) PRKCBPRKCAPRKCDPRKCHPRKCE
Hydrochloric Acid SCHEMBL8064918 0.74 PRKCA (0.67) PRKCBPRKCAPRKCDPRKCHPRKCE

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-20030134886-A1 Pharmaceutically active compounds ASTRAZENECA AB, A SWEDISH CORPORATION 2003-07-17 US disclosed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
US-6492409-B1 SUCH AS 5-(1-(3-AMINOPROPYL)-3-INDOLYL)-1-(3-INDOLYL)-1,3-DIHYDROIMIDAZOL-2-ONE; PROTEIN KINASE C INHIBITORS; HIGH SOLUBILITY; REDUCED COLOR; TREATING INFLAMMATORY AND/OR IMMUNOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1192150-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-04-03 EP disclosed
US-6337342-B1 ARYLIMIDAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-08 US disclosed
WO-2000078750-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-28 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-20030134886-A1 Pharmaceutically active compounds HTR3C, HTR6, CNR1 PRKCB 3108/4885PRKCA 3822/4885PRKCD 3124/4885

“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.