Acetic Acid

Acetic Acid

SCHEMBL19878290

CC(=O)[O-].COC(=O)CN(CC(=O)OC)c1cc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)ccc1OC

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ P2RY6 Q15077 1/20 0.49
▸ ITPR1 Q14643 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ HTR3A P46098 1/20 0.38
▸ USP2 O75604 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RY2 P41231 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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 SCHEMBL30378926 1.00 MEN1 (0.52) MEN1BLMKMT2ATHRBRECQL
Acetic Acid SCHEMBL19878400 0.94 MEN1 (0.52) MEN1BLMKMT2ATHRBRECQL
SCHEMBL19878292 0.90 MEN1 (0.46) MEN1BLMKMT2ATHRBRECQL
Bromide SCHEMBL19878336 0.89 MEN1 (0.51) MEN1BLMKMT2ATHRBRECQL
SCHEMBL19878383 0.89 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL
Acetic Acid SCHEMBL30379172 0.84 MEN1 (0.40) MEN1BLMKMT2ATHRBRECQL
SCHEMBL19878401 0.84 MEN1 (0.46) MEN1BLMKMT2ATHRBRECQL
Bromide SCHEMBL19878453 0.83 TDP1 (0.51) MEN1BLMKMT2ATHRBRECQL
SCHEMBL19878380 0.83 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14008857 0.81 P2RY6 (0.47) MEN1BLMKMT2ATHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109690317-B Compositions and methods for measuring ion channel activity in cells 生命科技股份有限公司 2023-05-02 — — CN disclosed
EP-3500860-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation (US) 2019-06-26 — — EP disclosed
US-20190187155-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation 2019-06-20 — — US disclosed
WO-2018035230-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL Life Technologies Corporation (US) 2018-02-22 — — 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-20190187155-A1 COMPOSITION AND METHODS FOR MEASURING ION CHANNEL ACTIVITY IN A CELL TMCO1, TRPM5, CLIC1 MEN1 1477/4885BLM 2654/4885KMT2A 4807/4885

“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.

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