SCHEMBL21163140

SCHEMBL21163140

CN(CCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.51
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
USP30 Q70CQ3 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
GPR119 Q8TDV5 2/20 0.34
CXCR2 P25025 1/20 0.33
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
MGLL Q99685 1/20 0.32
ABHD6 Q9BV23 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
SCHEMBL21163146 0.95 PDK2 (0.46) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21114117 0.94 PDK2 (0.45) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21163145 0.93 PDK2 (0.45) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21113990 0.93 PDK2 (0.44) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21114178 0.93 PDK2 (0.44) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21163142 0.91 PDK2 (0.42) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL21114092 0.86 KDM4E (0.40) PDK2KMT2AKDM4EALDH1A1
SCHEMBL2132598 0.83 PDK2 (0.43) PDK2BACE1BACE2USP30AAK1
SCHEMBL16015087 0.83 AAK1 (0.52) PDK2BACE1BACE2KAT6AKAT5
SCHEMBL24552688 0.82 PDK2 (0.42) PDK2BACE1BACE2KAT6AKAT5

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 PDK2 3088/4885BACE1 3705/4885BACE2 3017/4885

“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.