Acetic Acid

Acetic Acid

SCHEMBL30812944

CC(=O)O.CNS(=O)(=O)Cc1cc(C)ccc1CN

nearest known ligand 0.36

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
ALKBH5 Q6P6C2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
SETDB1 Q15047 1/20 0.32
PLG P00747 1/20 0.32
KLK1 P06870 1/20 0.32
KLK6 Q92876 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 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
Trifluoroacetic Acid SCHEMBL29853343 0.84 IKBKB (0.34) ALKBH5SRCF2PRSS1
Acetic Acid SCHEMBL29853294 0.82 KDM4E (0.39) ALKBH5KDM4ESMN1; SMN2F2PRSS1
Acetic Acid SCHEMBL29853314 0.78 ALOX5AP (0.33) ALKBH5KDM4ESMN1; SMN2
Acetic Acid SCHEMBL29853308 0.75 KDM4E (0.34) ALKBH5KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18571255 0.75 NR3C1 (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23004889 0.73 ALOX5AP (0.40) KDM4ESMN1; SMN2F2PRSS1ALDH1A1
Acetic Acid SCHEMBL1628644 0.72 NEU3 (0.41) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18571254 0.72 P2RX7 (0.39) KDM4ESMN1; SMN2RAB9AALDH1A1PTGS2
SCHEMBL22859097 0.70 TAAR1 (0.52) SMN1; SMN2TAAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL5968658 0.69 NPC1 (0.47) SMN1; SMN2SRCNPC1RAB9ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2024-04-04 US 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-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALKBH5 1536/4885KDM4E 1694/4885SMN1; SMN2 1168/4885

“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.