SCHEMBL805394

SCHEMBL805394

NS(=O)(=O)OC[C@H]1CC[C@H](Oc2ncnc3nc(-c4cncc5ccccc45)[nH]c23)C1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 6/20 0.83
UBA3 Q8TBC4 6/20 0.83
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PIK3CD O00329 2/20 0.36
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FFAR2 O15552 4/20 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
SCHEMBL783734 0.86 NAE1 (0.63) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL12452072 0.86 NAE1 (0.79) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL10283824 0.83 NAE1 (0.77) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL782316 0.80 NAE1 (0.80) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL18526999 0.76 NAE1 (0.48) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL18540612 0.75 NAE1 (0.47) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL15007538 0.75 NAE1 (0.47) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL15007539 0.75 NAE1 (0.47) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL805380 0.73 NAE1 (0.59) NAE1UBA3FFAR2
SCHEMBL17145357 0.73 NAE1 (0.59) 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 6/4885PI4KA 1753/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885PI4KA 1753/4885

“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.