Acetic Acid

Acetic Acid

SCHEMBL917458

CC(=O)O.N=C(N)NN=Cc1ccccc1

nearest known ligand 0.61

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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 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
G6PD P11413 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47

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
Acetic Acid SCHEMBL917457 1.00 MEN1 (0.61) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL914606 0.91 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL924522 0.91 MEN1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL914864 0.91 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL914865 0.91 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL9618643 0.90 MEN1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL9618642 0.90 MEN1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL11512881 0.86 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL11512883 0.86 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL21519499 0.84 NPC1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US claimed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP claimed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO claimed
US-5272165-A 2-alkylidene-aminoguanidines and methods of use therefor THE ROCKEFELLER UNIVERSITY (US) 1993-12-21 US claimed
WO-1992019236-A1 2-ALKYLIDENE-AMINOGUANIDINES FOR INHIBITING ADVANCED NONENZYMATICGLYCOSYLATION OF PROTEINS THE ROCKEFELLER UNIVERSITY (US) 1992-11-12 WO claimed
US-5130324-A For inhibiting nonezymatic crosslinking of glycosylation products of proteins THE ROCKEFELLER UNIVERSITY (US) 1992-07-14 US claimed
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 US disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US disclosed
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 US disclosed
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS ANAMAR AB (SE) 2012-07-12 US disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed
US-5272165-A 2-alkylidene-aminoguanidines and methods of use therefor THE ROCKEFELLER UNIVERSITY (US) 1993-12-21 US disclosed
US-5243071-A Acetoacetic acid guanyl hydrazone; inhibits food spoilage and protein aging THE ROCKEFELLER UNIVERSITY (US) 1993-09-07 US disclosed
WO-1992019236-A1 2-ALKYLIDENE-AMINOGUANIDINES FOR INHIBITING ADVANCED NONENZYMATICGLYCOSYLATION OF PROTEINS THE ROCKEFELLER UNIVERSITY (US) 1992-11-12 WO disclosed
US-5130324-A For inhibiting nonezymatic crosslinking of glycosylation products of proteins THE ROCKEFELLER UNIVERSITY (US) 1992-07-14 US disclosed
US-4139555-A Recovery of (1-S)-2-oxo-bornane-10-sulphonate BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 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 (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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR MEN1 4058/4885KMT2A 3083/4885RAB9A 497/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR MEN1 4058/4885KMT2A 3083/4885RAB9A 497/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MEN1 2718/4885KMT2A 3098/4885RAB9A 3123/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MEN1 1696/4885KMT2A 2794/4885RAB9A 2103/4885

“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.