Oxalic Acid

Oxalic Acid

SCHEMBL3051563

COc1ccc(CCNC2CCN(C(=O)c3cc4cc(Oc5ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.47

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 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 13/20 0.47
PRKAA2 P54646 2/20 0.45
PIK3CA P42336 1/20 0.45
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
LIPE Q05469 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 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
SCHEMBL10181380 0.98 STAT3 (0.48) STAT3PRKAA2PIK3CAGAAMAPT
SCHEMBL3062237 0.92 STAT3 (0.49) STAT3PRKAA2PIK3CAGAAMAPT
Oxalic Acid SCHEMBL3069689 0.90 STAT3 (0.44) STAT3PRKAA2PIK3CAMAPTHTT
Oxalic Acid SCHEMBL3051557 0.90 STAT3 (0.47) STAT3PRKAA2PIK3CAGAAMAPT
SCHEMBL10180877 0.88 STAT3 (0.49) STAT3PRKAA2PIK3CAGAAMAPT
Oxalic Acid SCHEMBL15295456 0.87 STAT3 (0.60) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3059426 0.86 MAPT (0.55) STAT3PRKAA2PIK3CAGAAMAPT
SCHEMBL10180601 0.85 STAT3 (0.62) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3062240 0.84 MAPT (0.46) STAT3PRKAA2PIK3CAGAAMAPT
Oxalic Acid SCHEMBL3050863 0.82 STAT3 (0.50) STAT3PRKAA2PIK3CAPRKAB2PRKAG1

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 claimed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP claimed
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

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.