Oxalic Acid

Oxalic Acid

SCHEMBL6835931

COc1cccc(C=Cc2nc3ccccc3n2-c2ccccn2)c1.O=C(O)C(=O)O

nearest known ligand 0.55

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
POLB P06746 3/20 0.51
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NPY1R P25929 1/20 0.44

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 SCHEMBL6835930 1.00 POLB (0.51) POLBMAPTTHRBMEN1KMT2A
SCHEMBL6836793 0.94 POLB (0.51) POLBMAPTTHRBMEN1KMT2A
SCHEMBL6836789 0.94 POLB (0.51) POLBMAPTTHRBMEN1KMT2A
Oxalic Acid SCHEMBL6838532 0.89 NPC1 (0.57) POLBMAPTMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6838528 0.89 NPC1 (0.57) POLBMAPTMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6838622 0.88 PDE10A (0.47) POLBMAPTTHRBMEN1KMT2A
Oxalic Acid SCHEMBL6835746 0.88 POLB (0.46) POLBMAPTTHRBMEN1KMT2A
Oxalic Acid SCHEMBL6838619 0.88 PDE10A (0.47) POLBMAPTTHRBMEN1KMT2A
Oxalic Acid SCHEMBL6835748 0.88 POLB (0.46) POLBMAPTTHRBMEN1KMT2A
Oxalic Acid SCHEMBL6839793 0.88 KMT2A (0.46) POLBMAPTMEN1KMT2AKDM4E

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 POLB 4305/4885MAPT 4772/4885THRB 3970/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 POLB 4341/4885MAPT 4736/4885THRB 4059/4885

“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.