SCHEMBL17219707

SCHEMBL17219707

CC(C)(C)OCC(N[C]=O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CTSK P43235 6/20 0.33
▸ CTSS P25774 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 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
SCHEMBL13993198 0.79 GRN (0.43) GRNSORT1MAPK1CTSKPOLB
SCHEMBL22262968 0.79 MAPK1 (0.38) GRNSORT1MAPK1CTSKCTSS
SCHEMBL23051973 0.77 GRN (0.39) GRNSORT1MAPK1CTSKCTSS
SCHEMBL25455581 0.77 MAPK1 (0.36) GRNSORT1MAPK1CTSKCTSS
SCHEMBL25453637 0.77 MAPK1 (0.41) GRNSORT1MAPK1CTSKCTSS
SCHEMBL29750396 0.76 CAD (0.39) GRNSORT1MAPK1CTSKCTSS
SCHEMBL17291698 0.76 CTSK (0.36) GRNSORT1MAPK1CTSKPOLB
SCHEMBL23051981 0.75 GRN (0.40) GRNSORT1MAPK1CTSKCTSS
SCHEMBL23051872 0.75 CTSK (0.38) GRNSORT1MAPK1CTSKCTSS
SCHEMBL6007507 0.74 CA12 (0.40) CTSKCTSSNPSR1TDP1CTSL

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-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF THE KITASATO INSTITUTE (JP) 2015-12-03 — — US disclosed
EP-2939668-A1 PDK4 INHIBITOR AND USE THEREOF The Kitasato Institute (JP) 2015-11-04 — — EP 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-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF PDK4, PDK3, PDK2 GRN 3532/4885SORT1 4879/4885MAPK1 584/4885

“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.

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