Oxalic Acid

Oxalic Acid

SCHEMBL3050863

COc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)C(C)C2)cc1.O=C(O)C(=O)O

nearest known ligand 0.50

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 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 10/20 0.50
PRKAA2 P54646 3/20 0.47
PIK3CA P42336 1/20 0.47
HIF1A Q16665 4/20 0.45
EPAS1 Q99814 4/20 0.45
MGLL Q99685 2/20 0.45
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43

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 SCHEMBL3058185 1.00 STAT3 (0.50) STAT3PRKAA2PIK3CAHIF1AEPAS1
Oxalic Acid SCHEMBL3050859 1.00 STAT3 (0.50) STAT3PRKAA2PIK3CAHIF1AEPAS1
Oxalic Acid SCHEMBL15295456 0.91 STAT3 (0.60) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Oxalic Acid SCHEMBL3064025 0.89 STAT3 (0.48) STAT3PRKAA2PIK3CAMGLL
Oxalic Acid SCHEMBL3056958 0.89 STAT3 (0.48) STAT3PRKAA2PIK3CAMGLL
Oxalic Acid SCHEMBL10181285 0.89 STAT3 (0.48) STAT3PRKAA2PIK3CAMGLL
SCHEMBL10180601 0.88 STAT3 (0.62) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3064521 0.87 SCN9A (0.49) STAT3HIF1AEPAS1MGLL
SCHEMBL3067772 0.87 SCN9A (0.49) STAT3HIF1AEPAS1MGLL
SCHEMBL3064516 0.87 SCN9A (0.49) STAT3HIF1AEPAS1MGLL

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 5 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
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885PRKAA2 4297/4885PIK3CA 3582/4885

“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.