SCHEMBL12988166

SCHEMBL12988166

CC(C)(C)[Si](C)(C)OC1CC(n2ccc3c(NCC4CC4)ncnc32)CC1COS(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 12/20 0.49
▸ UBA3 Q8TBC4 11/20 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
▸ P2RY1 P47900 1/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL192849 1.00 NAE1 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL10004894 0.89 PRMT5 (0.37) NAE1UBA3CA2UBA6GRK5
SCHEMBL10004893 0.89 PRMT5 (0.37) NAE1UBA3CA2UBA6GRK5
SCHEMBL192272 0.89 PRMT5 (0.37) NAE1UBA3CA2UBA6GRK5
SCHEMBL12988072 0.86 PRMT5 (0.39) NAE1UBA3CA2UBA6GRK5
SCHEMBL192062 0.86 PRMT5 (0.39) NAE1UBA3CA2UBA6GRK5
SCHEMBL192061 0.86 PRMT5 (0.39) NAE1UBA3CA2UBA6GRK5
SCHEMBL12988075 0.86 PRMT5 (0.39) NAE1UBA3CA2UBA6GRK5
SCHEMBL192354 0.83 NAE1 (0.67) NAE1UBA3CA2UBA6GRK5
SCHEMBL18837020 0.83 NAE1 (0.35) 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 1 patent. 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

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-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.

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