Acetic Acid

Acetic Acid

SCHEMBL29698776

CC(=O)O.N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.64

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 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.64
NPY1R P25929 9/20 0.64
NPY5R Q15761 8/20 0.64
NPY2R P49146 5/20 0.64
KISS1R Q969F8 2/20 0.52
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46

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
SCHEMBL1373207 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL1373212 0.97 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL9574199 0.95 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RKISS1R
Acetic Acid SCHEMBL9191707 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
Acetic Acid SCHEMBL9191722 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13563450 0.91 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3356923 0.91 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3356931 0.91 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL1737578 0.90 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1737572 0.90 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R

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-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 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 (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-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 NPY4R 16/4885NPY1R 13/4885NPY5R 8/4885

“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.