Oxalic Acid

Oxalic Acid

SCHEMBL6838622

COc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccn1.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 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 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 SCHEMBL6838619 1.00 PDE10A (0.47) PDE10APOLBMEN1KMT2AKDM4E
SCHEMBL6836851 0.95 PDE10A (0.48) PDE10APOLBMEN1KMT2AKDM4E
SCHEMBL6836854 0.95 PDE10A (0.48) PDE10APOLBMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6835746 0.92 POLB (0.46) POLBMEN1KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL6835748 0.92 POLB (0.46) POLBMEN1KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL6838656 0.90 FGFR1 (0.42) PDE10APOLBMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6837603 0.90 MAPT (0.51) PDE10AKDM4EALDH1A1NPC1LMNA
Oxalic Acid SCHEMBL6838653 0.90 FGFR1 (0.42) PDE10APOLBMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6837604 0.90 MAPT (0.51) PDE10AKDM4EALDH1A1NPC1LMNA
Oxalic Acid SCHEMBL6832658 0.90 PDE10A (0.43) PDE10APOLBMEN1KMT2AKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US claimed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US claimed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP claimed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP claimed
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
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP 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 4305/4885MEN1 4840/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 PDE10A 3581/4885POLB 4341/4885MEN1 4821/4885

“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.