Oxalic Acid

Oxalic Acid

SCHEMBL2026072

NC(=O)c1cccc(N)c1O.O=C(O)C(=O)O

nearest known ligand 0.68

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
MMP2 P08253 1/20 0.68
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
CXCR2 P25025 1/20 0.43
GAA P10253 2/20 0.42
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
BCAT2 O15382 1/20 0.42
IKBKB O14920 2/20 0.42
METAP2 P50579 1/20 0.39
CTNNB1 P35222 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALB P02768 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL2019650 0.94 MMP2 (0.69) MMP2KDM4EALDH1A1MAPTHPGD
Cadaverine Tartrate SCHEMBL2021423 0.85 MMP2 (0.59) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL204392 0.81 MMP2 (1.00) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL29547161 0.81 MMP2 (1.00) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL698742 0.80 KDM4E (0.61) MMP2KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL5110306 0.79 MMP2 (0.96) MMP2KDM4EALDH1A1MAPTHPGD
Ammonia Solution, Strong SCHEMBL1224587 0.79 MMP2 (0.96) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL28118326 0.79 MMP2 (0.96) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL27725387 0.79 MMP2 (0.96) MMP2KDM4EALDH1A1MAPTHPGD
SCHEMBL720049 0.79 MMP2 (0.72) MMP2KDM4EALDH1A1MAPTHPGD

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-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
US-20100249439-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-09-30 US disclosed
CN-101778836-A Process for controlled crystal size in 1,2-substituted 3,4-dioxo-1-cyclobutene compounds SCHERING CORP 2010-07-14 CN disclosed
EP-2181102-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-05-05 EP disclosed
EP-2178826-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005802-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 MMP2 2261/4885KDM4E 4463/4885ALDH1A1 1721/4885
US-20100249439-A1 PROCESS FOR CONTROLLED CRYSTAL SIZE IN 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCL5, CCR1 MMP2 2530/4885KDM4E 2833/4885ALDH1A1 3322/4885

“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.