SCHEMBL805387

SCHEMBL805387

NS(=O)(=O)OC[C@H]1CC[C@H](Oc2cc(N3Cc4ccccc4C3)ncn2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.72
UBA3 Q8TBC4 16/20 0.72
CHRM4 P08173 4/20 0.38
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 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
SCHEMBL805414 0.93 NAE1 (0.64) NAE1UBA3CHRM4CHRM2CHRM5
SCHEMBL783611 0.83 NAE1 (1.00) NAE1UBA3
SCHEMBL783729 0.78 NAE1 (0.88) NAE1UBA3CHRM4
SCHEMBL19185666 0.74 NAE1 (0.73) NAE1UBA3
SCHEMBL12452302 0.74 NAE1 (0.61) NAE1UBA3
SCHEMBL10283376 0.74 NAE1 (0.44) NAE1UBA3
SCHEMBL10283822 0.73 NAE1 (0.53) NAE1UBA3
SCHEMBL805370 0.71 NAE1 (0.79) NAE1UBA3
SCHEMBL12453644 0.70 NAE1 (0.80) NAE1UBA3
SCHEMBL805389 0.65 NAE1 (0.73) 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885CHRM4 4016/4885

“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.