SCHEMBL23080273

SCHEMBL23080273

NS(=O)(=O)OCC1C[C@@H](n2cnc3c(CCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
NAE1 Q13564 5/20 0.52
UBA3 Q8TBC4 5/20 0.52
ATG7 O95352 1/20 0.49
AHCY P23526 3/20 0.47
ADORA2B P29275 1/20 0.47
RNASEL Q05823 1/20 0.44

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
SCHEMBL1795319 1.00 CA2 (0.55) CA2NAE1UBA3ATG7AHCY
SCHEMBL17889860 0.91 CA2 (0.46) CA2NAE1UBA3ATG7AHCY
SCHEMBL1797374 0.87 AHCY (0.54) CA2AHCYADORA2BRNASEL
SCHEMBL23080212 0.87 AHCY (0.54) CA2AHCYADORA2BRNASEL
SCHEMBL12617957 0.87 CA2 (0.49) CA2NAE1UBA3ATG7AHCY
SCHEMBL12566881 0.86 CA2 (0.53) CA2NAE1UBA3AHCYADORA2B
SCHEMBL17889858 0.84 AHCY (0.42) CA2NAE1UBA3ATG7AHCY
SCHEMBL17898107 0.84 ADORA3 (0.60) CA2NAE1UBA3
SCHEMBL1796471 0.82 NAE1 (0.47) CA2NAE1UBA3ATG7
SCHEMBL23080270 0.82 AHCY (0.51) CA2AHCYADORA2BRNASEL

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 41/4885UBA3 12/4885

“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.