Acetic Acid

Acetic Acid

SCHEMBL7817508

CC(=O)O.Cc1ccc2c(c1)nc(-c1cn(CCCN)c3cc([N+](=O)[O-])ccc13)c(=O)n2CC(=O)OC(C)(C)C

nearest known ligand 0.35

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 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 8/20 0.33
MAPT P10636 3/20 0.33
GSK3B P49841 1/20 0.33
QPCT Q16769 1/20 0.33
ASH1L Q9NR48 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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 SCHEMBL7820633 0.92 CFTR (0.37) CFTRMAPK1MEN1KMT2ATDP1
Acetic Acid SCHEMBL7815335 0.92 TDP1 (0.41) CFTRTDP1MAPT
Acetic Acid SCHEMBL7817642 0.84 CFTR (0.41) CFTRTDP1
Acetic Acid SCHEMBL7807266 0.83 TP53 (0.39) CFTRMAPK1MEN1KMT2AMAPT
Acetic Acid SCHEMBL7817026 0.82 CFTR (0.39) CFTRMAPK1MEN1KMT2ATDP1
Acetic Acid SCHEMBL7814541 0.81 TP53 (0.38) MAPK1MEN1KMT2ATP53ALDH1A1
Acetic Acid SCHEMBL7820632 0.79 MAPT (0.39) MEN1KMT2AMAPTGSK3BQPCT
Acetic Acid SCHEMBL7817871 0.78 ALDH1A1 (0.42) CFTRMAPK1MEN1KMT2AMAPT
Acetic Acid SCHEMBL7815363 0.77 CFTR (0.45) CFTRMEN1KMT2ATDP1MAPT
Acetic Acid SCHEMBL7821126 0.76 ASH1L (0.40) CFTRMAPK1TDP1MAPTGSK3B

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
US-20010025043-A1 New pharmaceutical active compounds ASTRA AKTIEBOLAG, A SWEDEN CORPORATION 2001-09-27 US disclosed
US-6271231-B1 Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2001-08-07 US disclosed
EP-0929551-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (publ) (SE) 1999-07-21 EP disclosed
WO-1998013368-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-04-02 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-20010025043-A1 New pharmaceutical active compounds CSNK1A1, CSNK1G1, CSNK2A1 CFTR 877/4885MAPK1 48/4885MEN1 964/4885

“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.