Acetic Acid

Acetic Acid

SCHEMBL3092222

CC(=O)O.Cn1cc(-c2ccc(=O)n(Cc3cccc(C(=N)N)c3)n2)cn1

nearest known ligand 0.58

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 2)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.58
▸ HDAC1 Q13547 1/20 0.54

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
SCHEMBL13152956 0.96 MET (0.60) METHDAC1
Acetic Acid SCHEMBL3046972 0.83 MET (0.60) METHDAC1
Acetic Acid SCHEMBL1951550 0.83 MET (0.49) METHDAC1
Acetic Acid SCHEMBL27930460 0.83 MET (0.49) METHDAC1
SCHEMBL15445159 0.80 MET (0.67) METHDAC1
SCHEMBL15113615 0.78 MET (0.62) METHDAC1
SCHEMBL13089760 0.78 MET (0.61) METHDAC1
SCHEMBL2348812 0.78 MET (0.62) METHDAC1
SCHEMBL3095826 0.78 MET (0.62) METHDAC1
SCHEMBL13284453 0.78 MET (0.53) METHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP disclosed
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 — — US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 — — US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 — — US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 — — US disclosed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US disclosed
EP-2164843-A1 PYRIDAZINONE DERIVATES Merck Patent GmbH (DE) 2010-03-24 — — EP disclosed
WO-2009006959-A1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2009-01-15 — — WO 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 (4 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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885HDAC1 1144/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885HDAC1 1182/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885HDAC1 1182/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885HDAC1 1320/4885

“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.

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