SCHEMBL23080279

SCHEMBL23080279

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.59
P2RY2 P41231 2/20 0.56
P2RY1 P47900 1/20 0.56
P2RY6 Q15077 1/20 0.56
BMPR1B O00238 1/20 0.53
ATG7 O95352 3/20 0.49
UBA6 A0AVT1 1/20 0.49
UBA7 P41226 1/20 0.49
NAE1 Q13564 1/20 0.49
UBA3 Q8TBC4 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL17875220 0.86 SLC29A1 (0.60) ATG7NAE1UBA3ADORA3
SCHEMBL1795458 0.86 P2RY12 (0.76) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL10186161 0.86 SLC29A1 (0.60) ATG7NAE1UBA3ADORA3
SCHEMBL1796246 0.86 SLC29A1 (0.60) ATG7NAE1UBA3ADORA3
SCHEMBL18630490 0.86 P2RY12 (0.53) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL23080221 0.84 NAE1 (0.60) ATG7UBA6UBA7NAE1UBA3
SCHEMBL5583969 0.83 P2RY12 (0.48) P2RY12P2RY2P2RY1P2RY6ADORA3
SCHEMBL20621926 0.83 ATG7 (0.44) ATG7UBA6UBA7NAE1UBA3
SCHEMBL1795120 0.83 DNPH1 (0.54) P2RY1ATG7
SCHEMBL23080199 0.81 SLC29A1 (0.49) ATG7UBA6UBA7NAE1UBA3

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 1 patent. 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

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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 P2RY12 4362/4885P2RY2 3908/4885P2RY1 2716/4885

“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.