Oxalic Acid

Oxalic Acid

SCHEMBL890819

CC(C)O.CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.96

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 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.96
ADRB2 P07550 18/20 0.96

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 SCHEMBL890700 0.98 CHRM3 (0.97) CHRM3ADRB2
Oxalic Acid SCHEMBL890698 0.98 CHRM3 (0.97) CHRM3ADRB2
SCHEMBL730345 0.98 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL890834 0.98 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL730346 0.98 CHRM3 (1.00) CHRM3ADRB2
Fluoride SCHEMBL890954 0.97 CHRM3 (0.99) CHRM3ADRB2
SCHEMBL741158 0.97 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL890818 0.95 CHRM3 (0.91) CHRM3ADRB2
Trifluoroacetic Acid SCHEMBL901073 0.95 CHRM3 (0.94) CHRM3ADRB2
Trifluoroacetic Acid SCHEMBL694506 0.95 CHRM3 (0.94) CHRM3ADRB2

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-8697724-B2 Crystalline oxalate salts of a diamide compound THERAVANCE, INC. (US) 2014-04-15 US disclosed
US-20120083478-A1 CRYSTALLINE OXALATE SALTS OF A DIAMIDE COMPOUND THERAVANCE, INC. (US) 2012-04-05 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-20120083478-A1 CRYSTALLINE OXALATE SALTS OF A DIAMIDE COMPOUND OTC, PKD2, OAT CHRM3 1794/4885ADRB2 3746/4885

“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.