SCHEMBL805403

SCHEMBL805403

Cc1cccc(Sc2nc3ncnc(O[C@H]4CC[C@H](COS(N)(=O)=O)C4)c3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.60
UBA3 Q8TBC4 4/20 0.60
ATG7 O95352 10/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL782900 0.87 NAE1 (0.46) NAE1UBA3ATG7
SCHEMBL783024 0.76 NAE1 (0.49) NAE1UBA3ATG7
SCHEMBL16261748 0.76 HTT (0.36) NAE1UBA3ATG7HTTSMN1; SMN2
SCHEMBL16261749 0.76 HTT (0.35) NAE1UBA3ATG7HTTSMN1; SMN2
SCHEMBL12452072 0.72 NAE1 (0.79) NAE1UBA3ATG7CDK1CCNB1
SCHEMBL805394 0.71 NAE1 (0.83) NAE1UBA3CDK1CCNB1CCNA2
SCHEMBL10283824 0.70 NAE1 (0.77) NAE1UBA3CDK1CCNB1CCNA2
SCHEMBL782316 0.67 NAE1 (0.80) NAE1UBA3
SCHEMBL782746 0.63 ATG7 (0.31) ATG7
SCHEMBL783539 0.62 NAE1 (0.50) 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 6/4885ATG7 544/4885

“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.