Oxalic Acid

Oxalic Acid

SCHEMBL3592144

O=C(O)C(=O)O.c1ccc(-c2cnn(CCCN3CCOCC3)n2)cc1.c1ccc(-c2cnn(CCCN3CCOCC3)n2)cc1

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.48
ABCB1 P08183 1/20 0.48
HPGD P15428 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
TRPV4 Q9HBA0 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
Oxalic Acid SCHEMBL3592150 1.00 USP2 (0.53) USP2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL3602483 0.94 POLB (0.50) KDM4EALDH1A1LMNAABCB1HPGD
Oxalic Acid SCHEMBL3598353 0.88 HRH3 (0.54) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Oxalic Acid SCHEMBL3598359 0.88 HRH3 (0.54) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL29009117 0.87 LMNA (0.47) USP2KDM4EALDH1A1SMN1; SMN2LMNA
Oxalic Acid SCHEMBL3594969 0.85 HRH3 (0.57) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Oxalic Acid SCHEMBL3594974 0.85 HRH3 (0.57) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Oxalic Acid SCHEMBL3600469 0.82 CYP1A2 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Oxalic Acid SCHEMBL3598170 0.82 CYP1A2 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Oxalic Acid SCHEMBL3600180 0.82 CYP1A2 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP claimed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US claimed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US claimed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO claimed
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP disclosed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US disclosed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US disclosed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 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 (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-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, OPRK1, OPRD1 USP2 3762/4885KDM4E 4787/4885ALDH1A1 931/4885

“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.