Acetic Acid

Acetic Acid

SCHEMBL6298091

CC(=O)O.CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C(Oc2cccc(C(=N)N)c2)c2ccccc2)cc1

nearest known ligand 0.83

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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 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.83
PRSS1 P07477 10/20 0.83
F2 P00734 3/20 0.65
PLG P00747 1/20 0.58
PROC P04070 1/20 0.58
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53

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
SCHEMBL6298642 0.98 F10 (0.86) F10PRSS1F2PLGPROC
SCHEMBL7118516 0.91 F10 (1.00) F10PRSS1F2PLGPROC
SCHEMBL6298667 0.90 F10 (0.82) F10PRSS1F2PLGPROC
SCHEMBL6807833 0.90 F10 (0.73) F10PRSS1F2PLGPROC
SCHEMBL6298648 0.88 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6303269 0.86 F10 (0.67) F10PRSS1F2PLGPROC
SCHEMBL6298709 0.86 F10 (0.67) F10PRSS1F2PLGPROC
SCHEMBL6296861 0.85 F10 (0.66) F10PRSS1F2PLGPROC
SCHEMBL6298099 0.85 F10 (0.66) F10PRSS1F2PLGPROC
SCHEMBL7007614 0.85 F10 (0.65) F10PRSS1F2PRSS2PRSS3

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-6946489-B2 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2005-09-20 US disclosed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 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-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 F10 87/4885PRSS1 848/4885F2 8/4885

“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.