SCHEMBL23080206

SCHEMBL23080206

COc1ccc(CSc2ncnc3c2ncn3[C@H](O)[C@H](O)[C@@H](CNS(N)(=O)=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 9/20 0.46
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ ATG7 O95352 1/20 0.39
▸ 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
SCHEMBL20008058 0.76 CDK1 (0.55) HPGDSMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL1795761 0.73 SLC29A1 (0.76) SLC29A1ATG7
SCHEMBL23080231 0.70 NAE1 (0.54) ATG7
SCHEMBL23080210 0.70 NAE1 (0.54) ATG7
SCHEMBL18631605 0.69 SLC29A1 (0.59) SLC29A1ATG7
SCHEMBL20711208 0.68 AHCY (0.37) —
SCHEMBL5273825 0.67 SLC29A1 (0.77) SLC29A1
SCHEMBL20711364 0.66 TRPM2 (0.40) —
SCHEMBL23080242 0.65 CCNB2 (0.48) ALDH1A1MAPTKDM4ECCNB2CDK1
SCHEMBL21540715 0.63 FDPS (0.39) CCNB2CDK1CCNB1CCNB3

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 SLC29A1 3671/4885ALDH1A1 987/4885MAPT 2221/4885

“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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