SCHEMBL805380

SCHEMBL805380

NS(=O)(=O)OC[C@H]1CC[C@H](Oc2ncnc3[nH]c(-c4ccccc4)nc23)C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 11/20 0.59
UBA3 Q8TBC4 11/20 0.59
FFAR2 O15552 7/20 0.38
UBA1 P22314 1/20 0.35
UBE2E1 P51965 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
SCHEMBL782316 0.86 NAE1 (0.80) NAE1UBA3FFAR2UBA1UBE2E1
SCHEMBL782687 0.85 NAE1 (0.61) NAE1UBA3
SCHEMBL17145350 0.85 NAE1 (0.61) NAE1UBA3
SCHEMBL10283691 0.82 NAE1 (0.52) NAE1UBA3FFAR2
SCHEMBL805417 0.77 NAE1 (0.49) NAE1UBA3UBA1UBE2E1
SCHEMBL10283339 0.75 NAE1 (0.62) NAE1UBA3
SCHEMBL805389 0.74 NAE1 (0.73) NAE1UBA3
SCHEMBL12452072 0.73 NAE1 (0.79) NAE1UBA3FFAR2
SCHEMBL783622 0.72 NAE1 (0.60) NAE1UBA3UBA1UBE2E1
SCHEMBL805371 0.72 NAE1 (0.45) 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 3 patents. 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
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885FFAR2 4413/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885FFAR2 4413/4885

“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.