SCHEMBL18537992

SCHEMBL18537992

NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2ncnc3[nH]c(-c4cccc5ccccc45)nc23)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 0.56
UBA3 Q8TBC4 15/20 0.56
UBA1 P22314 1/20 0.45
UBE2E1 P51965 1/20 0.45
ATG7 O95352 2/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL783622 0.86 NAE1 (0.60) NAE1UBA3UBA1UBE2E1
SCHEMBL782316 0.83 NAE1 (0.80) NAE1UBA3UBA1UBE2E1PI4KA
SCHEMBL782553 0.78 NAE1 (0.67) NAE1UBA3
SCHEMBL16870075 0.76 NAE1 (0.58) NAE1UBA3UBA1UBE2E1
SCHEMBL12392774 0.76 NAE1 (0.58) NAE1UBA3UBA1UBE2E1
SCHEMBL783824 0.76 NAE1 (0.58) NAE1UBA3UBA1UBE2E1
SCHEMBL782739 0.76 NAE1 (0.53) NAE1UBA3UBA1UBE2E1
SCHEMBL15007431 0.75 NAE1 (0.45) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL783023 0.73 NAE1 (0.58) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL14720050 0.73 NAE1 (0.45) NAE1UBA3PI4KAPI4K2BPI4K2A

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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
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 6/4885UBA1 135/4885

“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.