Oxalic Acid

Oxalic Acid

SCHEMBL5917331

COc1cc([C@@H](OC)[C@H](C)N)c(OC)cc1Br.O=C(O)C(=O)O

nearest known ligand 0.83

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 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HTR2A P28223 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 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
Oxalic Acid SCHEMBL5917342 1.00 MGAM (0.46) MGAMGAASIMGAM2HTR2A
Oxalic Acid SCHEMBL5917387 1.00 MGAM (0.46) MGAMGAASIMGAM2HTR2A
Oxalic Acid SCHEMBL5662735 1.00 MGAM (0.46) MGAMGAASIMGAM2HTR2A
Oxalic Acid SCHEMBL5917336 1.00 MGAM (0.46) MGAMGAASIMGAM2HTR2A
SCHEMBL20450109 0.78 HTR2A (0.56) HTR2ATAAR1
SCHEMBL5917373 0.75 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL5663639 0.75 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL5917347 0.75 CYP2D6 (0.57) HTR2ATAAR1
SCHEMBL5917351 0.75 CYP2D6 (0.57) HTR2ATAAR1
Oxalic Acid SCHEMBL5917366 0.75 HTR2A (0.41) HTR2ATAAR1LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma VIRGINIA COMMONWEALTH UNIVERSITY 2006-05-18 US claimed
US-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma VIRGINIA COMMONWEALTH UNIVERSITY 2006-05-18 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-20060106106-A1 Beta-hydroxyphenylalkylamines and their use for treating glaucoma PDE3A, QDPR, PDE2A MGAM 1383/4885GAA 423/4885SI 3991/4885

“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.