Oxalic Acid

Oxalic Acid

SCHEMBL5111812

CC(C)(N)c1ccc(CN)o1.O=C(O)C(=O)O

nearest known ligand 0.37

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 15)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL6602472 0.89 CYP2D6 (0.39) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL7371111 0.76 CYP2E1 (0.38) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL31192239 0.76 ALDH1A1 (0.45) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL6695496 0.75 CYP2D6 (0.41) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
SCHEMBL10983582 0.75 CYP2D6 (0.41) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL10912134 0.74 ALDH1A1 (0.38) CYP2A6CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL19558728 0.71 CYP2E1 (0.37) CYP2E1CYP2D6CYP2A6CYP2C9CYP2B6
Oxalic Acid SCHEMBL5111815 0.70 ACHE (0.50)
SCHEMBL11198860 0.68 ACHE (0.32)
SCHEMBL11172601 0.68 PRMT6 (0.55) CYP2D6CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396843-B2 5′-carbamoyl-1,1′-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-08 US disclosed
US-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-02-17 US disclosed
EP-1435942-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032980-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP4K2, MAP3K1 CYP2E1 534/4885CYP2D6 747/4885CYP2A6 1117/4885

“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.