SCHEMBL23080250

SCHEMBL23080250

CO[C@H](COS(N)(=O)=O)[C@@H](O)Cn1cnc2c(CN3Cc4ccccc4C3)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 3/20 0.38
▸ UBA3 Q8TBC4 3/20 0.38
▸ AHCY P23526 2/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ UBA6 A0AVT1 1/20 0.32
▸ ATG7 O95352 1/20 0.32
▸ UBA7 P41226 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL23080204 0.81 P2RX7 (0.41) NAE1UBA3AHCYADORA2AADORA1
SCHEMBL23080228 0.78 NAE1 (0.37) NAE1UBA3AHCYADORA2AADORA1
SCHEMBL21283410 0.77 TMIGD3 (0.52) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL18630514 0.77 NAE1 (0.58) NAE1UBA3UBA6ATG7UBA7
SCHEMBL23080267 0.76 NAE1 (0.39) NAE1UBA3UBA6ATG7UBA7
SCHEMBL20008056 0.76 NAE1 (0.48) NAE1UBA3PDE4APDE4BPDE4C
SCHEMBL23080289 0.75 NAE1 (0.41) NAE1UBA3ADORA2AADORA1PDE4A
SCHEMBL18631311 0.73 ADORA3 (0.41) NAE1UBA3ADORA2AADORA1PDE4A
SCHEMBL20008118 0.72 AHCY (0.33) NAE1UBA3AHCYADORA2AADORA1
SCHEMBL12652415 0.68 BCHE (0.45) NAE1UBA3ALDH1A1UBA6ATG7

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 NAE1 41/4885UBA3 12/4885AHCY 1485/4885

“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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