SCHEMBL10242205

SCHEMBL10242205

NS(=O)(=O)OC[C@H]1CC[C@H](n2ccc3c(NCC4CC4)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 8/20 0.49
UBA3 Q8TBC4 7/20 0.49
CA2 P00918 2/20 0.49
UBA6 A0AVT1 2/20 0.49
GRK5 P34947 1/20 0.49
CSNK1A1 P48729 1/20 0.49
NEDD8 Q15843 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
PIP4K2A P48426 1/20 0.38
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ADCY5 O95622 1/20 0.35

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
SCHEMBL13194017 0.96 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740590 0.89 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5
SCHEMBL10293821 0.89 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL10233932 0.87 CA2 (0.46) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740568 0.86 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5
SCHEMBL192354 0.86 NAE1 (0.67) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740589 0.86 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740586 0.86 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL10293824 0.86 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL13192031 0.85 NAE1 (0.44) NAE1UBA3CA2UBA6GRK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP 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 (2 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885

“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.