SCHEMBL18538005

SCHEMBL18538005

Cc1nc(C)c(C)c(N[C@@H]2CC(COS(N)(=O)=O)[C@@H](O)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 19/20 0.52
UBA3 Q8TBC4 19/20 0.52
SAE1 Q9UBE0 15/20 0.43
UBA2 Q9UBT2 15/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL802482 1.00 NAE1 (0.52) NAE1UBA3SAE1UBA2CA1
SCHEMBL803312 0.90 NAE1 (0.42) NAE1UBA3SAE1UBA2CA1
SCHEMBL17145174 0.87 NAE1 (0.40) NAE1UBA3SAE1UBA2CA1
SCHEMBL802365 0.82 UBA1 (0.48) NAE1UBA3SAE1UBA2
SCHEMBL803001 0.80 ATG7 (0.38) NAE1UBA3
SCHEMBL802373 0.79 NAE1 (0.35) NAE1UBA3
SCHEMBL802964 0.73 CA2 (0.39) NAE1UBA3CA1CA2
SCHEMBL783073 0.70 NAE1 (0.56) NAE1UBA3SAE1UBA2
SCHEMBL12392799 0.70 NAE1 (0.64) NAE1UBA3SAE1UBA2
SCHEMBL16155034 0.70

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.