Acetic Acid

Acetic Acid

SCHEMBL7821076

CC(=O)O.Cc1ccc2[nH]c(=O)c(-c3cn(CCCN)c4cc(O)ccc34)nc2c1

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 11/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.35
PIM1 P11309 1/20 0.34
GSK3B P49841 2/20 0.34
QPCT Q16769 2/20 0.34
RPS6KB1 P23443 1/20 0.33
FLT3 P36888 1/20 0.33
RAD52 P43351 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL7821231 0.90 CAMK2D (0.41) CAMK2DMEN1MAPTKMT2APIM1
Acetic Acid SCHEMBL7807288 0.90 CAMK2D (0.49) CAMK2DKDRPIM1GSK3BRPS6KB1
Acetic Acid SCHEMBL7817675 0.89 ALDH1A1 (0.38) CAMK2DMEN1CYP1A2MAPTCYP2C19
Acetic Acid SCHEMBL7807598 0.88 GRIN2D (0.38) CAMK2DKDRPIM1RPS6KB1
Acetic Acid SCHEMBL7820632 0.88 MAPT (0.39) CAMK2DMEN1MAPTKMT2AGSK3B
Acetic Acid SCHEMBL7815433 0.87 PPARG (0.40) CAMK2DCYP1A2MAPTCYP2C9KDM4E
Acetic Acid SCHEMBL7815302 0.86 CAMK2D (0.38) CAMK2DMEN1CYP1A2MAPTCYP2C9
Acetic Acid SCHEMBL7817656 0.83 KDM4E (0.38) CAMK2DMEN1CYP1A2MAPTCYP2C9
Acetic Acid SCHEMBL7814532 0.82 TRPM8 (0.39) CAMK2DMAPTKDRKDM4EHSD17B10
Acetic Acid SCHEMBL8368566 0.81 CAMK2D (0.37) CAMK2DMEN1CYP1A2MAPTCYP2C9

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 CAMK2D 338/4885MEN1 964/4885CYP1A2 477/4885

“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.