Oxalic Acid

Oxalic Acid

SCHEMBL2041964

NCc1ccc2c(c1)C(=O)NC2.O=C(O)C(=O)O

nearest known ligand 0.49

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
NTRK2 Q16620 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
TYRO3 Q06418 1/20 0.49
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MST1R Q04912 1/20 0.44
NTRK3 Q16288 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
FYN P06241 1/20 0.41

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
SCHEMBL30094647 0.92 NTRK2 (0.51) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL2042249 0.92 NTRK2 (0.51) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL23565694 0.80 CLK4 (0.49) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL29902256 0.80 CLK4 (0.49) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL12193961 0.79 CA12 (0.48) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL27085978 0.79 NTRK2 (0.51) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL30073094 0.79 CA12 (0.48) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL31037780 0.79 NTRK2 (0.49) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL31000583 0.78 SLC7A5 (0.50) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL15967764 0.78 CLK4 (0.48) NTRK2CLK4DYRK1BTYRO3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK NTRK2 3900/4885CLK4 2976/4885DYRK1B 311/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK NTRK2 3900/4885CLK4 2976/4885DYRK1B 311/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK NTRK2 3900/4885CLK4 2976/4885DYRK1B 311/4885

“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.