Acetic Acid

Acetic Acid

SCHEMBL6509040

CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)c(O)c1

nearest known ligand 0.62

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 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.53
PRSS1 P07477 7/20 0.53
PLG P00747 9/20 0.51
F2 P00734 6/20 0.51
F10 P00742 6/20 0.51
PLAT P00750 5/20 0.51
F9 P00740 1/20 0.48
HPN P05981 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KLKB1 P03952 1/20 0.46
F7 P08709 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
SCHEMBL5401865 0.93 PLAU (0.56) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6061981 0.90 PLAU (0.52) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL20982608 0.86 PLAU (0.56) PLAUPRSS1PLG
SCHEMBL6509044 0.84 PLAU (0.48) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6061399 0.84 F2 (0.56) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6509822 0.84 F2 (0.68) PLAUPRSS1PLGF2F10
SCHEMBL6061587 0.83 PLAU (0.54) PLAUPRSS1PLGF2F10
Hydrochloric Acid SCHEMBL11298806 0.83 PLAU (0.65) PLAUPRSS1PLGF2F10
SCHEMBL7879342 0.83 PLAU (0.65) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6514970 0.82 PLAU (0.51) PLAUPRSS1PLGF2F10

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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 PLAU 4116/4885PRSS1 2474/4885PLG 1455/4885

“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.