Oxalic Acid

Oxalic Acid

SCHEMBL6836669

CC(C)c1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.46

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
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
GAA P10253 6/20 0.46
TP53 P04637 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
GLA P06280 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 8/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 3/20 0.43
KMT2A Q03164 2/20 0.43
XBP1 P17861 1/20 0.43
POLB P06746 2/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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 SCHEMBL6836670 1.00 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6835874 0.86 KMT2A (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6835875 0.86 KMT2A (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6835801 0.86 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6835798 0.86 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6838532 0.85 NPC1 (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6838528 0.85 NPC1 (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6838749 0.84 MAPT (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL6838751 0.84 MAPT (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6835939 0.83 ALDH1A1 (0.56) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 6 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
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 KDM4E 1257/4885ALDH1A1 209/4885NPC1 2771/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 KDM4E 1153/4885ALDH1A1 203/4885NPC1 3021/4885

“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.