Oxalic Acid

Oxalic Acid

SCHEMBL4764249

CCN1CCN(c2nc(-c3ccc(C#CC(C)(C)O)cc3)cc3sccc23)CC1.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
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DRD2 P14416 9/20 0.37
HTR2A P28223 9/20 0.37
DRD3 P35462 8/20 0.37
MAP3K14 Q99558 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP2D6 P10635 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL4764410 0.95 MAP3K14 (0.38) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4768990 0.83 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL14102730 0.82 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
Oxalic Acid SCHEMBL4768421 0.82 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4773708 0.81 SMN1; SMN2 (0.39) CSNK2A2CSNK2BCSNK2A1HTR2ASMN1; SMN2
Oxalic Acid SCHEMBL4770325 0.81 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4772558 0.80 CSNK2A2 (0.45) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4073036 0.80 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
Pyridine SCHEMBL4769403 0.80 SMN1; SMN2 (0.40) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A
SCHEMBL4763741 0.80 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1DRD2HTR2A

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CSNK2A2 887/4885CSNK2B 862/4885CSNK2A1 661/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CSNK2A2 2189/4885CSNK2B 1865/4885CSNK2A1 1779/4885

“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.