Sugi Predict

Sugi Predict / Compounds / SCHEMBL191949

SCHEMBL191949

SCHEMBL191949

NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@@H]4CCc5c(Br)cccc54)ncnc32)C[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 17/20 0.78
▸ UBA3 Q8TBC4 15/20 0.78
▸ UBA6 A0AVT1 4/20 0.78
▸ SAE1 Q9UBE0 3/20 0.78
▸ CA2 P00918 2/20 0.78
▸ GRK5 P34947 1/20 0.78
▸ CSNK1A1 P48729 1/20 0.78
▸ NEDD8 Q15843 1/20 0.78
▸ UBA2 Q9UBT2 1/20 0.78
▸ ATG7 O95352 1/20 0.45
▸ UBA7 P41226 1/20 0.45
▸ UBA1 P22314 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
SCHEMBL13191945 1.00 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL191694 1.00 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL13191800 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL13191987 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL192146 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL192709 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL192946 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL15346160 0.91 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
Pevonedistat SCHEMBL23924438 0.88 NAE1 (1.00) NAE1UBA3UBA6SAE1CA2
Pevonedistat SCHEMBL14328898 0.88 NAE1 (1.00) NAE1UBA3UBA6SAE1CA2

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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM 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 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 NAE1 75/4885UBA3 19/4885UBA6 802/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885

“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.