SCHEMBL21114044

SCHEMBL21114044

CN(CCCCOc1ccccc1-c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
PDK2 Q15119 1/20 0.40
SLC6A9 P48067 2/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PPARD Q03181 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
P2RY1 P47900 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 2/20 0.33
USP30 Q70CQ3 1/20 0.32
MAPT P10636 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
SCHEMBL21114067 0.86 PDK2 (0.38) PDK2BACE1BACE2P2RY1KCNH2
SCHEMBL21114117 0.84 PDK2 (0.45) KDM4EPDK2SMN1; SMN2BACE1BACE2
SCHEMBL21114178 0.83 PDK2 (0.44) KDM4EPDK2SMN1; SMN2BACE1BACE2
SCHEMBL21113990 0.83 PDK2 (0.44) KDM4EPDK2SMN1; SMN2BACE1BACE2
SCHEMBL21114184 0.82 KDM4E (0.46) KDM4EPDK2SLC6A9ALDH1A1SMN1; SMN2
SCHEMBL21163146 0.81 PDK2 (0.46) KDM4EPDK2ALDH1A1SMN1; SMN2BACE1
SCHEMBL30674664 0.81 PDK2 (0.40) KDM4EPDK2ALDH1A1LMNAUSP30
SCHEMBL21163142 0.79 PDK2 (0.42) KDM4EPDK2ALDH1A1BACE1BACE2
SCHEMBL21163140 0.78 PDK2 (0.51) KDM4EPDK2ALDH1A1BACE1BACE2
SCHEMBL25383562 0.78 PDK2 (0.45) KDM4EPDK2ALDH1A1SMN1; SMN2LMNA

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
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
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 KDM4E 4784/4885PDK2 3088/4885SLC6A9 1370/4885

“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.