SCHEMBL192379

SCHEMBL192379

Nc1ncnc2c1ccn2[C@@H]1C[C@@H](COS(N)(=O)=O)[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 12/20 0.62
UBA3 Q8TBC4 10/20 0.62
CA2 P00918 3/20 0.62
UBA6 A0AVT1 3/20 0.62
SAE1 Q9UBE0 2/20 0.62
GRK5 P34947 1/20 0.62
CSNK1A1 P48729 1/20 0.62
NEDD8 Q15843 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
ATG7 O95352 3/20 0.46

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
SCHEMBL17875227 1.00 NAE1 (0.62) NAE1UBA3CA2UBA6SAE1
SCHEMBL192779 0.89 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875179 0.89 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1
SCHEMBL192708 0.86 NAE1 (0.68) NAE1UBA3CA2UBA6SAE1
SCHEMBL192795 0.84 NAE1 (0.66) NAE1UBA3CA2UBA6SAE1
SCHEMBL192232 0.83 NAE1 (0.69) NAE1UBA3CA2UBA6SAE1
SCHEMBL192481 0.83 NAE1 (0.60) NAE1UBA3CA2UBA6SAE1
SCHEMBL192354 0.83 NAE1 (0.67) NAE1UBA3CA2UBA6SAE1
SCHEMBL15079618 0.83 UBA6 (0.52) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875209 0.83 UBA6 (0.52) NAE1UBA3CA2UBA6SAE1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107579-A1 E1 ENZYME MUTANTS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2017-04-20 US claimed
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP claimed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (5 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 NAE1 75/4885UBA3 19/4885CA2 3434/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885CA2 3826/4885

“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.