Acetic Acid

Acetic Acid

SCHEMBL7814715

CC(=O)O.NCCCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)c2ccccc21

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CAMK2D Q13557 12/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 2/20 0.41
QPCT Q16769 2/20 0.41
RIPK1 Q13546 1/20 0.40
NPC1 O15118 1/20 0.40
NPBWR1 P48145 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40

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 SCHEMBL7815326 0.93 MAPT (0.41) MAPTMAPK8MAPK9MAPK10RIPK1
Acetic Acid SCHEMBL7815330 0.90 MAPT (0.50) MAPTCAMK2DRPS6KB1NPC1RAB9A
Acetic Acid SCHEMBL8367883 0.90 NPBWR1 (0.42) MAPTCAMK2DMAPK8MAPK9MAPK10
Acetic Acid SCHEMBL7663687 0.89 MAPT (0.41) MAPTCAMK2DMAPK8MAPK9MAPK10
Acetic Acid SCHEMBL7815631 0.88 CTSV (0.44) MAPTRIPK1
Acetic Acid SCHEMBL7817920 0.88 CTSV (0.43) MAPTRIPK1
Acetic Acid SCHEMBL8516359 0.87 MAPT (0.40) MAPTMAPK8MAPK9MAPK10RIPK1
Acetic Acid SCHEMBL7821458 0.87 IRAK4 (0.41) MAPTRIPK1NPBWR1
Acetic Acid SCHEMBL8516841 0.86 CAMK2D (0.52) CAMK2DPIM1RPS6KB1GSK3BPRKACA
Acetic Acid SCHEMBL7807513 0.86 CAMK2D (0.45) CAMK2DPIM1RPS6KB1GSK3BPRKACA

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 MAPT 3370/4885CAMK2D 338/4885MAPK8 193/4885

“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.