Acetic Acid

Acetic Acid

SCHEMBL1604007

CC(=O)[O-].Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCC[N+]2(C)CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

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 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.72
CCR1 P32246 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL1604046 0.97 ELANE (0.75) ELANECCR1KDM4ENPSR1
Acetic Acid SCHEMBL1603917 0.96 ELANE (0.69) ELANECCR1
SCHEMBL1604972 0.93 ELANE (0.73) ELANEKDM4ENPSR1
SCHEMBL1604115 0.93 ELANE (0.72) ELANEKDM4ENPSR1
Iodide SCHEMBL1603664 0.93 ELANE (0.72) ELANE
Acetic Acid SCHEMBL1603712 0.89 ELANE (0.76) ELANECCR1KDM4ENPSR1
Acetic Acid SCHEMBL1604206 0.87 ELANE (0.74) ELANECCR1KDM4ENPSR1
SCHEMBL27872087 0.86 ELANE (0.82) ELANECCR1KDM4ENPSR1
SCHEMBL1603837 0.86 ELANE (0.76) ELANE
SCHEMBL14922185 0.86 ELANE (0.81) ELANECCR1KDM4ENPSR1

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-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
US-20110082155-A1 Novel 2-Pyridone Compounds ASTRAZENECA AB (SE) 2011-04-07 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-20110082155-A1 Novel 2-Pyridone Compounds SERPINB1, ELANE, EPX ELANE 2/4885CCR1 226/4885KDM4E 1513/4885

“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.