Acetic Acid

Acetic Acid

SCHEMBL3958008

CC(=O)O.Cc1cc(=O)n2ccccc2n1

nearest known ligand 0.56

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
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
GLA P06280 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
MPI P34949 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2823070 0.92 KDM4E (0.64) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL22499335 0.78 KDM4E (0.57) KMT2AKDM4ESMN1; SMN2MAPTHPGD
Benzo[D]Isoxazole SCHEMBL7155431 0.76 KDM4E (0.47) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3958034 0.76 KDM4E (0.55) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL24691325 0.76 KDM4E (0.56) KMT2AKDM4ESMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL22499322 0.76 KDM4E (0.56) KMT2AKDM4ESMN1; SMN2MAPTHPGD
Acetic Acid SCHEMBL3963576 0.76 KMT2A (0.57) KMT2AKDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL29918948 0.73 METTL3 (0.54) KMT2AKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL823315 0.73 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL23757742 0.73 DYRK1A (0.46) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B KMT2A 3431/4885KDM4E 3846/4885ALDH1A1 1009/4885

“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.