SCHEMBL6010041

SCHEMBL6010041

C[C@@](F)(CS(=O)O)NC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
EPHX1 P07099 2/20 0.33
EPHX2 P34913 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6009452 1.00 PDK1 (0.38) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6009955 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6008745 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6009989 0.76 HDAC6 (0.33) EPHX1
SCHEMBL5505514 0.76 HDAC6 (0.33) EPHX1
SCHEMBL6009434 0.75 HDAC6 (0.35) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6009453 0.75 HDAC6 (0.35) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL5501481 0.71 PDK1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6009968 0.71 PDK1 (0.38) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL6009916 0.71 PDK1 (0.38) PDK1PDK2PDK3PDK4EPHX1

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR PDK1 4844/4885PDK2 4374/4885PDK3 4732/4885

“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.