SCHEMBL805376

SCHEMBL805376

NS(=O)(=O)OC[C@H]1CC[C@H](Nc2ncnc3[nH]c(-c4cccc5ccccc45)cc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 9/20 0.53
UBA3 Q8TBC4 9/20 0.53
PRMT5 O14744 1/20 0.42
CSF1R P07333 3/20 0.41
UBA1 P22314 1/20 0.39
UBE2E1 P51965 1/20 0.39
BRAF P15056 1/20 0.37
TNNI3K Q59H18 1/20 0.37
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ENPP1 P22413 1/20 0.36
SAE1 Q9UBE0 2/20 0.35
UBA2 Q9UBT2 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL783161 0.85 NAE1 (0.59) NAE1UBA3SAE1UBA2
SCHEMBL805407 0.84 NAE1 (0.61) NAE1UBA3UBA1UBE2E1SAE1
SCHEMBL10283339 0.75 NAE1 (0.62) NAE1UBA3SAE1UBA2
SCHEMBL805417 0.74 NAE1 (0.49) NAE1UBA3UBA1UBE2E1GSK3B
SCHEMBL14723199 0.74 NAE1 (0.43) NAE1UBA3PRMT5CSF1RBRAF
SCHEMBL10283691 0.74 NAE1 (0.52) NAE1UBA3SAE1UBA2
SCHEMBL805369 0.73 NAE1 (0.46) NAE1UBA3SAE1UBA2
SCHEMBL14723201 0.72 CSF1R (0.39) NAE1UBA3PRMT5CSF1RBRAF
SCHEMBL805393 0.72 NAE1 (0.49) NAE1UBA3UBA1UBE2E1SAE1
SCHEMBL805371 0.72 NAE1 (0.45) NAE1UBA3GSK3BSAE1UBA2

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 6/4885PRMT5 1268/4885

“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.