Oxalic Acid

Oxalic Acid

SCHEMBL4122952

CN(CCNc1ccn(-c2ccc(Cl)c(Cl)c2)n1)C1CCCCC1.O=C(O)C(=O)O

nearest known ligand 0.54

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 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 11/20 0.40
CNR2 P34972 11/20 0.40
KCNH2 Q12809 2/20 0.39

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
SCHEMBL1356874 0.94 SIGMAR1 (0.60) SIGMAR1ABL1CNR1CNR2KCNH2
SCHEMBL1356884 0.82 SIGMAR1 (0.63) SIGMAR1ABL1POLBATML3MBTL1
Oxalic Acid SCHEMBL4122947 0.82 SIGMAR1 (0.57) SIGMAR1ABL1L3MBTL1CNR1CNR2
Oxalic Acid SCHEMBL1357082 0.78 SIGMAR1 (0.87) SIGMAR1ABL1POLBKCNH2
Oxalic Acid SCHEMBL1356546 0.78 SIGMAR1 (0.87) SIGMAR1ABL1POLBKCNH2
SCHEMBL17965436 0.76 SIGMAR1 (0.62) SIGMAR1ABL1CNR1CNR2KCNH2
Oxalic Acid SCHEMBL1356828 0.75 SIGMAR1 (0.71) SIGMAR1ABL1KCNH2
SCHEMBL1356458 0.74 SIGMAR1 (0.59) SIGMAR1ABL1KCNH2
SCHEMBL1354724 0.71 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL1356691 0.71 SIGMAR1 (1.00) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 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 (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-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885ABL1 452/4885POLB 2193/4885

“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.