SCHEMBL783783

SCHEMBL783783

NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2ncnc3c2ncn3Cc2ccccc2)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 1.00
UBA3 Q8TBC4 15/20 1.00
DAPK1 P53355 1/20 0.48
SCN9A Q15858 1/20 0.48
HPGD P15428 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL805389 0.85 NAE1 (0.73) NAE1UBA3DAPK1SCN9AHPGD
SCHEMBL18526995 0.80 NAE1 (0.67) NAE1UBA3DAPK1SCN9AHPGD
SCHEMBL17145350 0.76 NAE1 (0.61) NAE1UBA3
SCHEMBL782687 0.76 NAE1 (0.61) NAE1UBA3
SCHEMBL782888 0.72 NAE1 (1.00) NAE1UBA3
SCHEMBL783763 0.72 NAE1 (0.56) NAE1UBA3
SCHEMBL803108 0.71 NAE1 (0.55) NAE1UBA3
SCHEMBL783622 0.71 NAE1 (0.60) NAE1UBA3
SCHEMBL782870 0.70 NAE1 (1.00) NAE1UBA3
SCHEMBL12567206 0.70 NAE1 (0.54) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US claimed
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 US claimed
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-26 US claimed
US-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-10-11 US disclosed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP disclosed
US-9850214-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
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-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (7 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 6/4885DAPK1 2092/4885
US-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885DAPK1 1622/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885DAPK1 2092/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885DAPK1 2092/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885DAPK1 2092/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885DAPK1 2092/4885
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885DAPK1 1622/4885

“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.