Oxalic Acid

Oxalic Acid

SCHEMBL2302209

Nc1ncccc1-c1cc(CO)no1.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
NOTUM Q6P988 2/20 0.49
MKNK2 Q9HBH9 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
MAP4K4 O95819 3/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2300064 0.93 NOTUM (0.51) NOTUMMKNK2MKNK1PIK3CDPIK3CB
SCHEMBL30518383 0.93 NOTUM (0.51) NOTUMMKNK2MKNK1PIK3CDPIK3CB
Bicarbonate SCHEMBL28453614 0.84 NPC1 (0.40) NOTUMMKNK2MKNK1NAPRTHPGD
SCHEMBL30518381 0.81 L3MBTL1 (0.43) NOTUMMKNK2MKNK1PIK3CDPIK3CB
SCHEMBL21054794 0.81 L3MBTL1 (0.43) NOTUMMKNK2MKNK1PIK3CDPIK3CB
SCHEMBL2302221 0.81 MAPT (0.46) MKNK2MKNK1NAPRTHPGDNPC1
SCHEMBL2304162 0.79 MAP4K4 (0.41) NOTUMMKNK2MKNK1HPGDNPC1
SCHEMBL12369663 0.79 PIK3CD (0.41) NOTUMMKNK2MKNK1PIK3CDPIK3CB
SCHEMBL29043732 0.78 L3MBTL1 (0.57) NOTUMMKNK2NPC1ALDH1A1CYP1A2
SCHEMBL3398933 0.78 NOTUM (0.48) NOTUMHPGDNPC1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
US-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-27 US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2226320-A1 PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 EP disclosed
EP-2223926-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-09-01 EP disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 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 (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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL NOTUM 3916/4885MKNK2 3897/4885MKNK1 3526/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 NOTUM 4065/4885MKNK2 2921/4885MKNK1 3366/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 NOTUM 2119/4885MKNK2 263/4885MKNK1 127/4885
US-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES CBR3, NQO1, F12 NOTUM 3060/4885MKNK2 2941/4885MKNK1 3225/4885

“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.