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Sugi Predict / Compounds / SCHEMBL1797355

SCHEMBL1797355

SCHEMBL1797355

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4ccco4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UBA6 A0AVT1 1/20 0.57
▸ ATG7 O95352 1/20 0.57
▸ UBA7 P41226 1/20 0.57
▸ NAE1 Q13564 1/20 0.57
▸ UBA3 Q8TBC4 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ DNPH1 O43598 5/20 0.55
▸ TRPM2 O94759 1/20 0.54
▸ ADK P55263 1/20 0.52

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
SCHEMBL1796907 0.86 DNPH1 (0.73) UBA6ATG7UBA7NAE1UBA3
SCHEMBL12566849 0.83 UBA6 (0.58) UBA6ATG7UBA7NAE1UBA3
SCHEMBL12566847 0.83 DNPH1 (0.62) UBA6ATG7UBA7NAE1UBA3
SCHEMBL12566440 0.83 DNPH1 (0.62) UBA6ATG7UBA7NAE1UBA3
SCHEMBL12566425 0.83 DNPH1 (0.62) UBA6ATG7UBA7NAE1UBA3
SCHEMBL32662533 0.82 ADORA3 (0.75) UBA6ATG7UBA7NAE1UBA3
SCHEMBL2294870 0.81 CA1 (0.73) CA1CA2CA4CA9DNPH1
SCHEMBL2294876 0.81 CA1 (0.73) CA1CA2CA4CA9DNPH1
SCHEMBL30208039 0.81 CA1 (0.73) CA1CA2CA4CA9DNPH1
SCHEMBL14201601 0.81 CA1 (0.73) CA1CA2CA4CA9DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 — — US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 — — EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (8 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 UBA6 2037/4885ATG7 2417/4885UBA7 2700/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 UBA6 2037/4885ATG7 2417/4885UBA7 2700/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885ATG7 1114/4885UBA7 1038/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 UBA6 4411/4885ATG7 4779/4885UBA7 4510/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 UBA6 2037/4885ATG7 2417/4885UBA7 2700/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 UBA6 728/4885ATG7 1114/4885UBA7 1038/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 UBA6 4411/4885ATG7 4779/4885UBA7 4510/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 UBA6 728/4885ATG7 1114/4885UBA7 1038/4885

“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.

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