Oxalic Acid

Oxalic Acid

SCHEMBL6838751

CCOc1ccc(C=Cc2nc3ccccc3n2-c2ccccn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.54

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
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.52
TP53 P04637 4/20 0.52
RELA Q04206 3/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 7/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 2/20 0.44
CDK5 Q00535 1/20 0.44
PAX8 Q06710 1/20 0.44
CDK5R1 Q15078 1/20 0.44
RCE1 Q9Y256 1/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 5/20 0.44
GLA P06280 4/20 0.44
NFKB1 P19838 2/20 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 SCHEMBL6838749 1.00 MAPT (0.54) MAPTSMN1; SMN2TP53RELAATP4A
Oxalic Acid SCHEMBL6838528 0.90 NPC1 (0.57) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6838532 0.90 NPC1 (0.57) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6837604 0.89 MAPT (0.51) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6837603 0.89 MAPT (0.51) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6835875 0.84 KMT2A (0.50) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6835874 0.84 KMT2A (0.50) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6835801 0.84 KDM4E (0.44) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6835798 0.84 KDM4E (0.44) MAPTSMN1; SMN2TP53RELANPC1
Oxalic Acid SCHEMBL6836670 0.84 KDM4E (0.46) MAPTSMN1; SMN2TP53RELANPC1

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
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

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 MAPT 4772/4885SMN1; SMN2 3664/4885TP53 4827/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MAPT 4736/4885SMN1; SMN2 3467/4885TP53 4824/4885

“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.