SCHEMBL23080227

SCHEMBL23080227

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(CNC(=O)c4cc(F)cc(F)c4)ncnc32)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ UBA6 A0AVT1 1/20 0.35
▸ ATG7 O95352 1/20 0.35
▸ UBA7 P41226 1/20 0.35
▸ NAE1 Q13564 1/20 0.35
▸ UBA3 Q8TBC4 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL12567156 0.89 CYP1A2 (0.45) BCHEUBA6ATG7UBA7NAE1
SCHEMBL18630417 0.86 ATG7 (0.45) ATG7
SCHEMBL20008404 0.85 NAE1 (0.42) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL18630415 0.83 BCHE (0.43) BCHEUBA6ATG7UBA7NAE1
SCHEMBL1798164 0.82 TRPM2 (0.51) UBA6ATG7UBA7NAE1UBA3
SCHEMBL18630443 0.77 BCHE (0.38) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL13773372 0.76 BCHE (0.54) BCHEALDH1A1LMNAALBMAPK1
SCHEMBL12652607 0.75 NR2F2 (0.54) ALDH1A1
SCHEMBL12652414 0.75 UBA6 (0.47) BCHEUBA6ATG7UBA7NAE1
SCHEMBL12567150 0.75 BCHE (0.47) BCHEALDH1A1LMNAALBMAPK1

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 BCHE 24/4885ALDH1A1 987/4885LMNA 2462/4885

“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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