SCHEMBL21555136

SCHEMBL21555136

CCN1CCOCC1CC(C)S

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.34
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33

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
SCHEMBL12621125 0.86 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL1806182 0.78 PDK1 (0.37) PDK1PDK2PDK3
SCHEMBL25125561 0.77 PDK1 (0.39) PDK1PDK2PDK3
SCHEMBL890074 0.77 PDK1 (0.39) PDK1PDK2PDK3
SCHEMBL21430670 0.75 L3MBTL1 (0.36) PDK1PDK2PDK3
SCHEMBL25808422 0.75 PDK1 (0.39) PDK1PDK2PDK3
SCHEMBL25808421 0.75 PDK1 (0.39) PDK1PDK2PDK3
SCHEMBL17778486 0.74 PDK1 (0.51) PDK1PDK2PDK3
Hydrochloric Acid SCHEMBL31393754 0.74 PDK1 (0.37) PDK1PDK2PDK3
SCHEMBL24630698 0.74 PDK1 (0.51) PDK1PDK2PDK3

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-11154563-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-10-26 US disclosed
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-11-07 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 (2 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-11154563-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 PDK1 4072/4885PDK2 3019/4885PDK3 3937/4885
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 PDK1 4072/4885PDK2 3019/4885PDK3 3937/4885

“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.