SCHEMBL23639481

SCHEMBL23639481

CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2N)C(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
HDAC2 Q92769 4/20 0.38
GPR119 Q8TDV5 3/20 0.37
HDAC1 Q13547 3/20 0.37
PDE4B Q07343 4/20 0.37
STS P08842 1/20 0.37
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
KDM1A O60341 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34

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
SCHEMBL16853789 0.90 USP30 (0.44) USP30GPR119PDE4BSTSPDE4D
SCHEMBL17631637 0.87 USP30 (0.44) USP30GPR119
SCHEMBL17631639 0.87 USP30 (0.44) USP30GPR119
SCHEMBL12801187 0.85 USP30 (0.49) USP30GPR119PDE4BPDE4DPDE4A
SCHEMBL16100303 0.78 USP30 (0.51) USP30GPR119KDM1APRMT5WDR77
SCHEMBL16611414 0.78 USP30 (0.51) USP30GPR119STSAAK1
SCHEMBL20934895 0.76 TBK1 (0.37) USP30GPR119
SCHEMBL532111 0.76 PDE4B (0.59) USP30GPR119PDE4BSTSPDE4D
SCHEMBL13717948 0.76 GPR119 (0.58) USP30GPR119PDE4BPDE4DPDE4A
SCHEMBL24904180 0.76 USP30 (0.46) USP30GPR119

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-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-07-15 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-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA USP30 2708/4885HDAC2 3097/4885GPR119 1450/4885

“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.