Oxalic Acid

Oxalic Acid

SCHEMBL3984766

CC(C)(C)OC(=O)N1CCCC12CCNCC2.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 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.41
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
SPR P35270 3/20 0.35
NAMPT P43490 3/20 0.34
CNR2 P34972 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL700241 0.96 JAK3 (0.43) JAK3GRIN2BGRIN2CSPRNAMPT
Hydrochloric Acid SCHEMBL19582520 0.94 JAK3 (0.43) JAK3GRIN2BGRIN2CSPRNAMPT
SCHEMBL14762409 0.93 JAK3 (0.42) JAK3GRIN2BGRIN2CSPRNAMPT
SCHEMBL15286428 0.91 JAK3 (0.46) JAK3GRIN2BGRIN2CSPRNAMPT
Hydrochloric Acid SCHEMBL15288269 0.90 JAK3 (0.45) JAK3GRIN2BGRIN2CSPRNAMPT
SCHEMBL1771960 0.87 JAK3 (0.42) JAK3GRIN2BGRIN2CSPRNAMPT
SCHEMBL34473824 0.87 JAK3 (0.42) JAK3GRIN2BGRIN2CSPRNAMPT
Oxalic Acid SCHEMBL31627257 0.87 JAK3 (0.42) JAK3GRIN2BGRIN2CSPRCNR2
SCHEMBL31450504 0.87 JAK3 (0.42) JAK3GRIN2BGRIN2CSPRNAMPT
SCHEMBL3706160 0.86 JAK3 (0.38) JAK3GRIN2BGRIN2CSPRCTSK

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
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 JAK3 1424/4885GRIN2B 3470/4885GRIN2C 4309/4885

“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.