SCHEMBL20008037

SCHEMBL20008037

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(CCc3ccccc3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATG7 O95352 2/20 0.40
▸ NAE1 Q13564 5/20 0.36
▸ UBA3 Q8TBC4 5/20 0.36
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL23080223 0.86 ATG7 (0.40) ATG7NAE1UBA3CA1CA2
SCHEMBL20007970 0.86 DNPH1 (0.38) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL20008382 0.84 ADORA2A (0.32) ATG7CCNB2CDK1CCNB1CCNB3
SCHEMBL20008103 0.83 ATG7 (0.34) ATG7CCNB2CDK1CCNB1CCNB3
SCHEMBL23080289 0.83 NAE1 (0.41) ATG7NAE1UBA3CA1CA2
SCHEMBL20008059 0.81 RET (0.33) ATG7NAE1UBA3CCNB2CDK1
SCHEMBL23080286 0.80 ADORA2A (0.36) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL20008410 0.78 ATG7 (0.36) ATG7NAE1UBA3
SCHEMBL20008399 0.77 ABL1 (0.40) NAE1UBA3CCNB2CDK1CCNB1
SCHEMBL20008212 0.77 ADORA3 (0.34) NAE1UBA3

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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 (2 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ATG7 2417/4885NAE1 257/4885UBA3 235/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ATG7 1114/4885NAE1 41/4885UBA3 12/4885

“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.

Send feedback