SCHEMBL18540369

SCHEMBL18540369

CC1(C)C[C@H](Nc2cc(N[C@@H]3C[C@H](OS(N)(=O)=O)[C@@H](O)[C@H]3O)ncn2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 16/20 0.44
▸ UBA3 Q8TBC4 16/20 0.44
▸ UBA1 P22314 5/20 0.37
▸ UBE2E1 P51965 4/20 0.37

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
SCHEMBL18540370 0.88 NAE1 (0.42) NAE1UBA3UBA1UBE2E1
SCHEMBL782699 0.86 NAE1 (0.61) NAE1UBA3UBA1UBE2E1
SCHEMBL18540603 0.86 NAE1 (0.42) NAE1UBA3UBA1
SCHEMBL18540601 0.82 NAE1 (0.41) NAE1UBA3UBA1
SCHEMBL18540367 0.81 NAE1 (0.55) NAE1UBA3
SCHEMBL782894 0.77 NAE1 (0.60) NAE1UBA3UBA1
SCHEMBL12452314 0.74 NAE1 (0.45) NAE1UBA3UBA1
SCHEMBL783830 0.72 NAE1 (0.63) NAE1UBA3
SCHEMBL12392885 0.72 NAE1 (0.63) NAE1UBA3
SCHEMBL782474 0.72 NAE1 (0.65) NAE1UBA3UBA1UBE2E1

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 6/4885UBA1 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.

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