SCHEMBL192337

SCHEMBL192337

NS(=O)(=O)OC[C@H]1C[C@@H](n2ccc3c(Sc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
ATG7 O95352 2/20 0.48
NAE1 Q13564 3/20 0.46
UBA3 Q8TBC4 2/20 0.46
GRK5 P34947 1/20 0.46
CSNK1A1 P48729 1/20 0.46
UBA6 A0AVT1 1/20 0.46
NEDD8 Q15843 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
PRMT5 O14744 9/20 0.45
WDR77 Q9BQA1 4/20 0.45
METTL3 Q86U44 2/20 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
SCHEMBL192440 1.00 CA2 (0.49) CA2ATG7NAE1UBA3GRK5
SCHEMBL192426 0.84 PRMT5 (0.49) PRMT5WDR77
SCHEMBL193117 0.83 ATG7 (0.41) CA2ATG7NAE1UBA3GRK5
SCHEMBL17865948 0.83 PRMT5 (0.44) PRMT5WDR77METTL3
SCHEMBL10186267 0.82 METTL3 (0.49) CA2NAE1UBA3GRK5CSNK1A1
SCHEMBL10234275 0.80 NAE1 (0.46) CA2ATG7NAE1UBA3GRK5
SCHEMBL17866033 0.78 PRMT5 (0.44) PRMT5WDR77
SCHEMBL17865951 0.76 PRMT5 (0.38) PRMT5WDR77METTL3
SCHEMBL193841 0.75 NAE1 (0.78) CA2ATG7NAE1UBA3GRK5
SCHEMBL191900 0.75 PRMT5 (0.51) CA2NAE1UBA3GRK5CSNK1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 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

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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 CA2 3434/4885ATG7 1094/4885NAE1 75/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CA2 3826/4885ATG7 1114/4885NAE1 41/4885

“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.