SCHEMBL23819476

SCHEMBL23819476

NN/C(=N\CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HIF1A Q16665 1/20 0.34
CPB1 P15086 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7522748 0.75 KDM4E (0.39) KDM4EKDM5CPHF8KDM2AHIF1A
SCHEMBL14510738 0.73
SCHEMBL17011955 0.69
SCHEMBL7557631 0.69
SCHEMBL23566530 0.67 CYP1A2 (0.36) KDM4EKDM5CPHF8KDM2AHIF1A
SCHEMBL17234465 0.67 CYP1A2 (0.36) KDM4EKDM5CPHF8KDM2AHIF1A
Guanidino Acetate SCHEMBL33971 0.66
SCHEMBL7574469 0.65 LDHA (0.40) KDM4EHIF1ACPB1CYP1A2CYP2D6
SCHEMBL7574472 0.65 LDHA (0.40) KDM4EHIF1ACPB1CYP1A2CYP2D6
SCHEMBL18528405 0.64 PHF8 (0.39) KDM4EKDM5CPHF8KDM2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283574-A1 Multivariate and other metal-organic frameworks, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 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 (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-20210283574-A1 Multivariate and other metal-organic frameworks, and uses thereof AQP3, AQP4, AQP1 KDM4E 4017/4885KDM5C 4377/4885PHF8 1500/4885

“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.