SCHEMBL21114080

SCHEMBL21114080

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TRPV4 Q9HBA0 1/20 0.34
BDKRB1 P46663 2/20 0.33
P2RY1 P47900 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
AR P10275 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KCNA5 P22460 1/20 0.32
SSTR4 P31391 1/20 0.32
METAP2 P50579 1/20 0.32
KIF11 P52732 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
SCHEMBL21114184 0.83 KDM4E (0.46) PDK2L3MBTL1ALOX5APFEN1
SCHEMBL21114067 0.82 PDK2 (0.38) PDK2L3MBTL1TRPV4P2RY1KCNH2
SCHEMBL21114007 0.80 PDK2 (0.34) PDK2L3MBTL1TRPV4HTR2AHTR2C
SCHEMBL21114177 0.80 LSS (0.37) PDK2L3MBTL1TRPV4HTR2AHTR2C
SCHEMBL21163144 0.79 PDK2 (0.46) PDK2DDB1CRBNSSTR4
SCHEMBL21163804 0.77 PDK2 (0.49) PDK2SSTR4
SCHEMBL21163425 0.75 SLC6A4 (0.40) PDK2L3MBTL1SLC6A4ARALOX5AP
SCHEMBL21114101 0.74 PDK2 (0.48) PDK2L3MBTL1SSTR4
SCHEMBL21163440 0.74 PDK2 (0.48) PDK2L3MBTL1SSTR4
SCHEMBL21113995 0.73 PDK2 (0.48) PDK2L3MBTL1SSTR4

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO 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 4479/4885TRPV4 1890/4885

“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.