SCHEMBL18540465

SCHEMBL18540465

CO[C@H]1Cc2ccccc2[C@H]1Nc1ncnc(NC[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 18/20 0.54
UBA3 Q8TBC4 16/20 0.54
UBA6 A0AVT1 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
CA2 P00918 2/20 0.42
GRK5 P34947 1/20 0.42
CSNK1A1 P48729 1/20 0.42
NEDD8 Q15843 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL782844 0.89 NAE1 (0.57) NAE1UBA3UBA6SAE1
SCHEMBL782906 0.84 NAE1 (0.54) NAE1UBA3
SCHEMBL18540615 0.84 NAE1 (0.67) NAE1UBA3UBA6SAE1CA2
SCHEMBL17520035 0.84 NAE1 (0.54) NAE1UBA3
SCHEMBL12453391 0.83 NAE1 (0.49) NAE1UBA3
SCHEMBL805410 0.82 NAE1 (0.44) NAE1UBA3UBA6SAE1CA2
SCHEMBL783690 0.81 NAE1 (0.59) NAE1UBA3
SCHEMBL783623 0.81 NAE1 (0.59) NAE1UBA3
SCHEMBL12392783 0.81 NAE1 (0.59) NAE1UBA3
SCHEMBL802413 0.78 NAE1 (0.78) NAE1UBA3

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 6/4885UBA6 495/4885

“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.