Oxalic Acid

Oxalic Acid

SCHEMBL6045600

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2ccccc2C(F)(F)F)CC1.O=C(O)C(=O)O

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 8/20 0.50
NPSR1 Q6W5P4 4/20 0.50
ATM Q13315 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
PHGDH O43175 1/20 0.40
SCD O00767 1/20 0.38
MAPT P10636 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
SCHEMBL6045483 0.98 KDM4E (0.47) KDM4EALDH1A1NPSR1ATMTDP1
SCHEMBL6045602 0.87 KDM4E (0.46) KDM4EALDH1A1NPSR1ATMTDP1
Oxalic Acid SCHEMBL6045529 0.86 CYP2D6 (0.42) ALDH1A1MAPK1
SCHEMBL6045518 0.85 CHRM2 (0.47) ALDH1A1GAAKMT2AMEN1PHGDH
Oxalic Acid SCHEMBL6045577 0.84 FAAH (0.42) KDM4EALDH1A1NPSR1GAAKMT2A
SCHEMBL6045585 0.84 OPRL1 (0.41) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL6045421 0.84 CYP2D6 (0.44) ALDH1A1MAPK1
Oxalic Acid SCHEMBL6045612 0.83 KDM4E (0.40) KDM4EALDH1A1TDP1GAAKMT2A
Oxalic Acid SCHEMBL6045737 0.83 MEN1 (0.41) KDM4EALDH1A1ATMKMT2AMEN1
Oxalic Acid SCHEMBL6045590 0.83 CHRM2 (0.33) KDM4EALDH1A1NPSR1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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 (1 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR KDM4E 3254/4885ALDH1A1 4220/4885NPSR1 10/4885

“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.