Oxalic Acid

Oxalic Acid

SCHEMBL4100193

NCCP(=O)(O)O.O=C(O)C(=O)O

nearest known ligand 0.78

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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.78
LMNA P02545 3/20 0.55
BLM P54132 3/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
TYMS P04818 1/20 0.43
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
THPO P40225 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
GRM4 Q14833 1/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 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
SCHEMBL80285 0.88
Pyruvate SCHEMBL4318015 0.87 ALDH1A1 (0.67) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL20184358 0.85
SCHEMBL7201131 0.85
SCHEMBL28275447 0.85
SCHEMBL23302895 0.85
SCHEMBL625058 0.85
Oxalic Acid SCHEMBL4760426 0.84 LMNA (0.80) ALDH1A1LMNABLMCYP3A4NFKB1
Formaldehyde SCHEMBL11521839 0.82
SCHEMBL28588888 0.82 ALDH1A1 (0.88) ALDH1A1LMNABLMCYP3A4NFKB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 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 (4 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS ALDH1A1 2093/4885LMNA 3380/4885BLM 148/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 ALDH1A1 3374/4885LMNA 3741/4885BLM 3179/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 ALDH1A1 3012/4885LMNA 4141/4885BLM 4124/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS ALDH1A1 2093/4885LMNA 3380/4885BLM 148/4885

“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.