Oxalic Acid

Oxalic Acid

SCHEMBL6838653

CC(C)Oc1ccc2c(c1)nc(/C=C/c1ccccc1)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 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
MAPT P10636 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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 SCHEMBL6838656 1.00 FGFR1 (0.42) FGFR1MAPTTUBB4ATUBBTUBA3C
Oxalic Acid SCHEMBL6838622 0.90 PDE10A (0.47) MAPTTUBB4ATUBBTUBA3CTUBA1B
Oxalic Acid SCHEMBL6838619 0.90 PDE10A (0.47) MAPTTUBB4ATUBBTUBA3CTUBA1B
Oxalic Acid SCHEMBL6837603 0.88 MAPT (0.51) MAPTTUBB4ATUBBTUBA3CTUBA1B
Oxalic Acid SCHEMBL6837604 0.88 MAPT (0.51) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6836851 0.84 PDE10A (0.48) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6836854 0.84 PDE10A (0.48) MAPTTUBB4ATUBBTUBA3CTUBA1B
Oxalic Acid SCHEMBL6832792 0.83 PDE10A (0.47) MAPTKDM4ENPC1ALDH1A1RAB9A
Oxalic Acid SCHEMBL6832789 0.83 PDE10A (0.47) MAPTKDM4ENPC1ALDH1A1RAB9A
Oxalic Acid SCHEMBL6835746 0.82 POLB (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B

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 FGFR1 3309/4885MAPT 4772/4885TUBB4A 2398/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 FGFR1 3242/4885MAPT 4736/4885TUBB4A 2441/4885

“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.