SCHEMBL805382

SCHEMBL805382

CC1(C)Cc2cccc(-c3nc4c(N[C@H]5CC[C@H](COS(N)(=O)=O)C5)ncnc4[nH]3)c2O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 17/20 0.43
UBA3 Q8TBC4 16/20 0.43
ALDH1A1 P00352 1/20 0.36
SAE1 Q9UBE0 5/20 0.35
UBA6 A0AVT1 2/20 0.35
ATG7 O95352 1/20 0.35
UBA7 P41226 1/20 0.35
UBA2 Q9UBT2 3/20 0.32

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
SCHEMBL782787 0.87 NAE1 (0.58) NAE1UBA3SAE1UBA2
SCHEMBL2343104 0.87 NAE1 (0.58) NAE1UBA3SAE1UBA2
SCHEMBL805369 0.83 NAE1 (0.46) NAE1UBA3SAE1UBA6UBA2
SCHEMBL805377 0.83 NAE1 (0.49) NAE1UBA3SAE1UBA6ATG7
SCHEMBL805407 0.82 NAE1 (0.61) NAE1UBA3SAE1UBA6ATG7
SCHEMBL10283339 0.81 NAE1 (0.62) NAE1UBA3SAE1UBA6ATG7
SCHEMBL10283691 0.80 NAE1 (0.52) NAE1UBA3SAE1UBA6ATG7
SCHEMBL805390 0.79 NAE1 (0.48) NAE1UBA3SAE1UBA6ATG7
SCHEMBL805393 0.79 NAE1 (0.49) NAE1UBA3SAE1UBA2
SCHEMBL805417 0.78 NAE1 (0.49) NAE1UBA3SAE1UBA6ATG7

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 6/4885ALDH1A1 1576/4885

“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.