Oxalic Acid

Oxalic Acid

SCHEMBL6836784

COc1ccc2c(c1)nc(/C=C/c1sccc1C)n2-c1ccccn1.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 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PSMD14 O00487 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 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
Oxalic Acid SCHEMBL6836786 1.00 PDE10A (0.42) PDE10APOLBKDM4ELMNAHPGD
Oxalic Acid SCHEMBL6836774 0.86 PDE10A (0.44) PDE10APOLBMAPTALDH1A1TP53
Oxalic Acid SCHEMBL6836772 0.86 PDE10A (0.44) PDE10APOLBMAPTALDH1A1TP53
Oxalic Acid SCHEMBL6838622 0.85 PDE10A (0.47) PDE10APOLBKDM4ELMNAHPGD
Oxalic Acid SCHEMBL6838619 0.85 PDE10A (0.47) PDE10APOLBKDM4ELMNAHPGD
Oxalic Acid SCHEMBL6835971 0.84 PDE10A (0.43) PDE10APOLBKDM4EHPGDMAPT
Oxalic Acid SCHEMBL6835973 0.84 PDE10A (0.43) PDE10APOLBKDM4EHPGDMAPT
Oxalic Acid SCHEMBL6832656 0.83 PDE10A (0.43) PDE10APOLBKDM4EMAPTALDH1A1
Oxalic Acid SCHEMBL6832658 0.83 PDE10A (0.43) PDE10APOLBKDM4EMAPTALDH1A1
Oxalic Acid SCHEMBL6832792 0.82 PDE10A (0.47) PDE10APOLBKDM4ELMNAHPGD

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-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 PDE10A 3397/4885POLB 4305/4885KDM4E 1257/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 PDE10A 3581/4885POLB 4341/4885KDM4E 1153/4885

“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.