SCHEMBL1798284

SCHEMBL1798284

NS(=O)(=O)OC[C@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cccs4)ncnc32)O1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.61
UBA3 Q8TBC4 4/20 0.61
ADORA3 P0DMS8 5/20 0.59
SLC29A1 Q99808 3/20 0.59
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
UBA6 A0AVT1 1/20 0.47
ATG7 O95352 1/20 0.47
UBA7 P41226 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
DNPH1 O43598 1/20 0.44
PAX8 Q06710 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1797185 0.86 ADORA3 (0.75) NAE1UBA3ADORA3SLC29A1ADORA2A
SCHEMBL32661607 0.78 ADORA3 (0.63) NAE1UBA3ADORA3SLC29A1ADORA2A
SCHEMBL1795974 0.78 ADORA3 (0.75) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL12566795 0.77 NAE1 (0.78) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1797366 0.77 NAE1 (0.78) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1797170 0.77 ADORA3 (0.76) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL1797176 0.76 ADORA3 (0.67) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL22787594 0.76 NAE1 (1.00) NAE1UBA3
SCHEMBL14713231 0.75 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL20626177 0.75 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885ADORA3 3584/4885

“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.