SCHEMBL21114067

SCHEMBL21114067

CN(CCCOCc1ccccc1-c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.35
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
P2RY1 P47900 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KCNA5 P22460 1/20 0.31
METAP2 P50579 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL21114044 0.86 KDM4E (0.40) PDK2BACE1BACE2P2RY1KCNH2
SCHEMBL21114080 0.82 PDK2 (0.40) PDK2L3MBTL1P2RY1KCNH2TRPV4
SCHEMBL21163142 0.82 PDK2 (0.42) PDK2BACE1BACE2DDB1CRBN
SCHEMBL21163146 0.80 PDK2 (0.46) PDK2BACE1BACE2USP30
SCHEMBL21163913 0.79 PDK2 (0.32) PDK2
SCHEMBL21114117 0.78 PDK2 (0.45) PDK2BACE1BACE2USP30
SCHEMBL21163145 0.77 PDK2 (0.45) PDK2BACE1BACE2USP30
SCHEMBL21114178 0.77 PDK2 (0.44) PDK2L3MBTL1BACE1BACE2USP30
SCHEMBL21113990 0.77 PDK2 (0.44) PDK2L3MBTL1BACE1BACE2USP30
SCHEMBL21163140 0.76 PDK2 (0.51) PDK2BACE1BACE2USP30

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 3088/4885L3MBTL1 4479/4885BACE1 3705/4885

“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.