Acetic Acid

Acetic Acid

SCHEMBL6749697

CC(=O)O.Cc1cc(OCC(ONC(=N)N)C2CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1

nearest known ligand 0.52

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 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.52
CTRC Q99895 3/20 0.47
F10 P00742 3/20 0.44
PRSS2 P07478 2/20 0.44

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
Hydrochloric Acid SCHEMBL7649325 0.85 F2 (0.55) F2CTRCF10PRSS2
SCHEMBL5682753 0.80 F2 (0.58) F2CTRCF10PRSS2
Acetic Acid SCHEMBL6745916 0.79 F2 (0.59) F2CTRCF10PRSS2
Acetic Acid SCHEMBL6749835 0.78 F2 (0.63) F2CTRCF10PRSS2
Hydrochloric Acid SCHEMBL6745806 0.76 F2 (0.70) F2CTRCF10PRSS2
Hydrochloric Acid SCHEMBL5673481 0.73 F2 (0.72) F2CTRCPRSS2
Hydrochloric Acid SCHEMBL5673487 0.73 F2 (0.72) F2CTRCPRSS2
Acetic Acid SCHEMBL5673553 0.72 F2 (0.58) F2CTRCF10PRSS2
SCHEMBL6927837 0.72 F2 (0.57) F2CTRCF10PRSS2
SCHEMBL5672793 0.70 F2 (0.73) F2CTRCPRSS2

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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 27/4885CTRC 69/4885F10 54/4885

“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.