Oxalic Acid

Oxalic Acid

SCHEMBL6844280

C/C(=C\c1nc2ccccc2n1-c1ccccn1)c1ccccc1.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
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CRHBP P24387 3/20 0.41
CRHR2 Q13324 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 3/20 0.40
CTSD P07339 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
SLC22A12 Q96S37 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 SCHEMBL6844283 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACRHBPCRHR2
Oxalic Acid SCHEMBL6832838 0.89 KDM4E (0.40) ALDH1A1MEN1KMT2ACRHBPCRHR2
Oxalic Acid SCHEMBL6838634 0.88 TDP1 (0.41) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL8553005 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL8552995 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL8548612 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL8548617 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACRHBPCRHR2
Oxalic Acid SCHEMBL6835801 0.77 KDM4E (0.44) ALDH1A1MEN1KMT2ATDP1KDM4E
Oxalic Acid SCHEMBL6835798 0.77 KDM4E (0.44) ALDH1A1MEN1KMT2ATDP1KDM4E
Oxalic Acid SCHEMBL6835875 0.75 KMT2A (0.50) ALDH1A1MEN1KMT2ATDP1KDM4E

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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
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 (3 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 ALDH1A1 971/4885MEN1 2699/4885KMT2A 829/4885
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 ALDH1A1 209/4885MEN1 4840/4885KMT2A 1611/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 ALDH1A1 203/4885MEN1 4821/4885KMT2A 1403/4885

“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.