Oxalic Acid

Oxalic Acid

SCHEMBL2575385

CCN(CC)CCn1cc(-c2ccccc2)c(OCc2ccccc2)n1.O=C(O)C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
POLB P06746 1/20 0.40
ENPP2 Q13822 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
PTGIR P43119 1/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1386845 0.94 PDE10A (0.41) L3MBTL1SCN1ASCN2ASCN3APDE10A
Hydrochloric Acid SCHEMBL2577840 0.93 PDE10A (0.41) L3MBTL1SCN1ASCN2ASCN3AMEN1
Oxalic Acid SCHEMBL2576068 0.86 CNR2 (0.43) POLBENPP2MEN1KMT2APDE10A
Oxalic Acid SCHEMBL2577871 0.86 KDM4E (0.48) ENPP2MEN1KMT2APDE10AALDH1A1
SCHEMBL1385049 0.83 PDE10A (0.43) L3MBTL1POLBENPP2PDE10AKDM4E
Hydrochloric Acid SCHEMBL2577843 0.82 PDE10A (0.42) L3MBTL1POLBENPP2PDE10AKDM4E
SCHEMBL1387091 0.80 MAOB (0.46) ENPP2MEN1KMT2APDE10AALDH1A1
SCHEMBL1384073 0.80 CNR2 (0.47) L3MBTL1ENPP2PDE10AALDH1A1LMNA
SCHEMBL1384547 0.79 PDE10A (0.42) POLBPDE10AKDM4EKCNH2MCHR1
Oxalic Acid SCHEMBL2582750 0.79 KDM4E (0.55) L3MBTL1POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US claimed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 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 (2 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 L3MBTL1 4636/4885SCN1A 820/4885SCN2A 573/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 L3MBTL1 4625/4885SCN1A 828/4885SCN2A 584/4885

“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.