SCHEMBL23080280

SCHEMBL23080280

NS(=O)(=O)OCC1O[C@@H](n2ccc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
NAE1 Q13564 2/20 0.49
GRK5 P34947 1/20 0.49
CSNK1A1 P48729 1/20 0.49
UBA6 A0AVT1 1/20 0.49
NEDD8 Q15843 1/20 0.49
UBA3 Q8TBC4 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
ATG7 O95352 14/20 0.48

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
SCHEMBL1801570 1.00 CA2 (0.49) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL14430991 0.87 ATG7 (0.53) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL1797922 0.86 CA2 (0.41) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL17889814 0.86 NAE1 (0.41) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL1798411 0.86 ADK (0.54)
SCHEMBL25996051 0.86 ADK (0.54)
SCHEMBL27216186 0.81 TYMP (0.47)
SCHEMBL18490419 0.81 TYMP (0.47)
SCHEMBL22034033 0.81 TYMP (0.47)
SCHEMBL192451 0.80 NAE1 (0.76) CA2NAE1GRK5CSNK1A1UBA6

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885GRK5 2043/4885

“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.