Oxalic Acid

Oxalic Acid

SCHEMBL5264185

COc1cc(F)c2nccc(N)c2c1.O=C(O)C(=O)O

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 2/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HDAC1 Q13547 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PLAU P00749 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRM2 Q14416 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36

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
SCHEMBL4279169 0.92 NOS3 (0.43) KDM4EPDE10ANOS3NOS1NOS2
Fumaric Acid SCHEMBL5316999 0.91 KDM4E (0.40) LMNAKDM4EMAPK1NPSR1NOS3
Hydrochloric Acid SCHEMBL6640376 0.90 NOS3 (0.42) KDM4EPDE10ANOS3NOS1NOS2
Hydrochloric Acid SCHEMBL5748572 0.90 NOS3 (0.42) KDM4EPDE10ANOS3NOS1NOS2
SCHEMBL27588449 0.80 KDM4E (0.60) LMNAKDM4EPLAUGRM2
SCHEMBL2268452 0.78 NOS3 (0.47) LMNAKDM4ENOS3NOS1NOS2
SCHEMBL2923376 0.77 NOS3 (0.40) LMNAKDM4EMAPK1NPSR1PDE10A
SCHEMBL3830829 0.76 NOS3 (0.42) LMNAKDM4EMAPK1NPSR1NOS3
Oxalic Acid SCHEMBL5258918 0.76 LMNA (0.65) LMNAKDM4EMAPK1NPSR1NOS3
Oxalic Acid SCHEMBL4272375 0.75 DHODH (0.36) LMNAMAPK1PDE10APDE3BPDE3A

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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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 (2 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 LMNA 2737/4885KDM4E 3867/4885MAPK1 3704/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH LMNA 2883/4885KDM4E 4047/4885MAPK1 3321/4885

“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.