SCHEMBL18540487

SCHEMBL18540487

NS(=O)(=O)OC[C@@H]1C[C@@H](CNc2ncnc3[nH]c(C4CCCCC4)nc23)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 18/20 0.42
UBA3 Q8TBC4 16/20 0.42
SAE1 Q9UBE0 3/20 0.41
UBA2 Q9UBT2 2/20 0.41
UBA6 A0AVT1 2/20 0.38
CA2 P00918 2/20 0.38
GRK5 P34947 1/20 0.38
CSNK1A1 P48729 1/20 0.38
NEDD8 Q15843 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
SCHEMBL782874 0.86 NAE1 (0.55) NAE1UBA3SAE1UBA2UBA6
SCHEMBL10283672 0.79 NAE1 (0.38) NAE1UBA3SAE1UBA2UBA6
SCHEMBL18540418 0.79 NAE1 (0.55) NAE1UBA3CA2
SCHEMBL865836 0.74 NAE1 (0.44) NAE1UBA3SAE1UBA2UBA6
SCHEMBL866507 0.74 NAE1 (0.44) NAE1UBA3SAE1UBA2UBA6
SCHEMBL867353 0.73 NAE1 (0.44) NAE1UBA3SAE1UBA2UBA6
SCHEMBL867174 0.73 NAE1 (0.44) NAE1UBA3SAE1UBA2UBA6
SCHEMBL18540493 0.72 NAE1 (0.59) NAE1UBA3SAE1UBA2
SCHEMBL18540614 0.71 NAE1 (0.66) NAE1UBA3
SCHEMBL783648 0.69 NAE1 (0.64) NAE1UBA3SAE1UBA2UBA6

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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885SAE1 520/4885

“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.