Oxalic Acid

Oxalic Acid

SCHEMBL6838634

C(=C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1-c1ccccn1.O=C(O)C(=O)O

nearest known ligand 0.41

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
TDP1 Q9NUW8 3/20 0.41
CTSD P07339 4/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CRHBP P24387 1/20 0.40
RECQL P46063 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 3/20 0.36
ALKBH2 Q6NS38 1/20 0.36

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 SCHEMBL6844280 0.88 ALDH1A1 (0.41) TDP1CTSDALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6844283 0.88 ALDH1A1 (0.41) TDP1CTSDALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6832838 0.86 KDM4E (0.40) TDP1CTSDALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6835801 0.79 KDM4E (0.44) TDP1ALDH1A1MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6835798 0.79 KDM4E (0.44) TDP1ALDH1A1MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6835874 0.77 KMT2A (0.50) TDP1CTSDALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6835875 0.77 KMT2A (0.50) TDP1CTSDALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL6847288 0.76 PDE10A (0.37) CTSDALDH1A1MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6836385 0.76 PSD (0.47) TDP1ALDH1A1MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL6847295 0.76 PDE10A (0.37) CTSDALDH1A1MEN1KMT2AKDM4E

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 TDP1 3893/4885CTSD 3015/4885ALDH1A1 209/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 TDP1 3953/4885CTSD 3132/4885ALDH1A1 203/4885

“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.