Oxalic Acid

Oxalic Acid

SCHEMBL3060675

CCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(NC(=O)c6ccc(Cl)c(Cl)c6)c(C)n5)ccc4n3C)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.42

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 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
PRKAA2 P54646 1/20 0.42
STAT3 P40763 14/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3709922 0.88 PIK3CA (0.46) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3065325 0.88 PIK3CA (0.46) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3053365 0.86 PRKAA2 (0.47) PIK3CAPRKAA2STAT3SMN1; SMN2
SCHEMBL3052158 0.84 SMN1; SMN2 (0.46) PIK3CAPRKAA2STAT3KDM4ELMNA
SCHEMBL3053251 0.83 LGALS8 (0.42) LGALS8LGALS3MEN1KMT2A
SCHEMBL3055758 0.82 LGALS8 (0.40) LMNASMN1; SMN2ALDH1A1LGALS8LGALS3
Maleic Acid SCHEMBL3061327 0.82 PIK3CA (0.41) PIK3CAPRKAA2STAT3KDM4ELMNA
Fumaric Acid SCHEMBL3061331 0.82 PIK3CA (0.41) PIK3CAPRKAA2STAT3KDM4ELMNA
Bromide SCHEMBL3062140 0.82 PTGS2 (0.52) PIK3CAPRKAA2STAT3
Bromide SCHEMBL3068012 0.81 PRKAA2 (0.46) PIK3CAPRKAA2STAT3

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 PIK3CA 3582/4885PRKAA2 4297/4885STAT3 1499/4885

“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.