Acetic Acid

Acetic Acid

SCHEMBL2789778

CC(=O)O.N#Cc1ccccc1Cn1ccnc1

nearest known ligand 0.81

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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 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.81
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 4/20 0.55
TBXAS1 P24557 4/20 0.54
FNTA P49354 3/20 0.49
FNTB P49356 3/20 0.49
PGGT1B P53609 3/20 0.49
CYP17A1 P05093 1/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
QPCT Q16769 1/20 0.49
CYP4Z1 Q86W10 1/20 0.49
QPCTL Q9NXS2 1/20 0.49

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
SCHEMBL88059 0.90 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1FNTA
Hydrochloric Acid SCHEMBL1507826 0.89 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2TBXAS1FNTA
SCHEMBL7841243 0.78 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2FNTAFNTB
Benzylimidazole SCHEMBL16236718 0.78 TBXAS1 (0.80) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL11387112 0.76 CYP19A1 (0.72) CYP19A1CYP11B1TBXAS1POLBMAPT
SCHEMBL3737260 0.76 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL28416685 0.76 CYP19A1 (0.76) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL15179016 0.75 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL30523908 0.75 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1
SCHEMBL30523909 0.75 CYP11B1 (0.76) CYP19A1CYP11B1CYP11B2TBXAS1CYP17A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 EP 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 (2 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CYP19A1 2162/4885CYP11B1 256/4885CYP11B2 266/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CYP19A1 2162/4885CYP11B1 256/4885CYP11B2 266/4885

“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.