Acetic Acid

Acetic Acid

SCHEMBL7817825

CC(=O)O.Cc1cccc2nc(-c3cn(CCCN)c4cc([N+](=O)[O-])ccc34)c(=O)[nH]c12

nearest known ligand 0.40

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 10)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.40
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 6/20 0.36
GSK3B P49841 2/20 0.36
QPCT Q16769 2/20 0.36
CAMK2D Q13557 4/20 0.35
NPBWR1 P48145 1/20 0.34
CFTR P13569 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL7815330 0.88 MAPT (0.50) ASH1LMAPTTDP1CAMK2DCFTR
Acetic Acid SCHEMBL8366763 0.87 MAPT (0.38) ASH1LMAPTTDP1GSK3BQPCT
Acetic Acid SCHEMBL7815326 0.86 MAPT (0.41) ASH1LMAPTTDP1NPBWR1MEN1
Acetic Acid SCHEMBL7817844 0.86 CAMK2D (0.48) CAMK2D
Acetic Acid SCHEMBL7821126 0.85 ASH1L (0.40) ASH1LMAPTTDP1GSK3BQPCT
Acetic Acid SCHEMBL7663687 0.85 MAPT (0.41) ASH1LMAPTTDP1GSK3BQPCT
Acetic Acid SCHEMBL7820632 0.85 MAPT (0.39) ASH1LMAPTGSK3BQPCTCAMK2D
Acetic Acid SCHEMBL7657005 0.83 MAPT (0.37) ASH1LMAPTTDP1CAMK2DMEN1
Acetic Acid SCHEMBL7817159 0.83 MAPT (0.37) ASH1LMAPTTDP1NPBWR1
Acetic Acid SCHEMBL8367883 0.83 NPBWR1 (0.42) ASH1LMAPTTDP1GSK3BQPCT

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 6 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 claimed
US-6271231-B1 Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2001-08-07 US claimed
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 ASH1L 4173/4885MAPT 3370/4885TDP1 2096/4885

“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.