Acetic Acid

Acetic Acid

SCHEMBL5656763

CC(=O)O.O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cccc(S(=O)(=O)CCO)c1

nearest known ligand 0.68

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
CCR3 P51677 11/20 0.68
HRH1 P35367 10/20 0.52
SLC5A7 Q9GZV3 1/20 0.50
KCNH2 Q12809 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR2 P41597 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL5656768 0.90 CCR3 (0.67) CCR3HRH1SLC5A7KCNH2MEN1
Acetic Acid SCHEMBL5657504 0.89 CCR3 (0.70) CCR3HRH1SLC5A7KCNH2MEN1
Hydrochloric Acid SCHEMBL5656041 0.87 CCR3 (0.75) CCR3HRH1SLC5A7KCNH2MEN1
SCHEMBL5657206 0.86 CCR3 (0.73) CCR3HRH1SLC5A7KCNH2CCR2
SCHEMBL6395052 0.83 CCR3 (0.79) CCR3HRH1SLC5A7KCNH2MEN1
SCHEMBL6396375 0.82 CCR3 (0.81) CCR3HRH1SLC5A7KCNH2MEN1
Hydrochloric Acid SCHEMBL5658390 0.82 CCR3 (0.67) CCR3HRH1SLC5A7KCNH2NPC1
SCHEMBL6397066 0.82 CCR3 (0.81) CCR3HRH1SLC5A7KCNH2MEN1
SCHEMBL5658825 0.81 CCR3 (1.00) CCR3HRH1SLC5A7KCNH2
SCHEMBL13177087 0.81 CCR3 (0.66) CCR3HRH1SLC5A7KCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304077-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-12-04 US disclosed
US-20040102432-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 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-20040102432-A1 Chemical compounds CCL11, HRH1, HRH4 CCR3 17/4885HRH1 2/4885SLC5A7 1670/4885

“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.