SCHEMBL6009986

SCHEMBL6009986

C[C@@](F)(CS(=O)(=O)O)NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CA1 P00915 2/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
EPHX1 P07099 6/20 0.35
CA2 P00918 1/20 0.33
EPHX2 P34913 2/20 0.33
GAA P10253 1/20 0.33
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL6008669 1.00 PDK1 (0.40) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009843 1.00 PDK1 (0.40) PDK1PDK2PDK3PDK4CA1
SCHEMBL6010036 1.00 PDK1 (0.40) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009916 0.98 PDK1 (0.38) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009968 0.98 PDK1 (0.38) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009052 0.91
SCHEMBL6009993 0.91
SCHEMBL8156104 0.81 PDK1 (0.38) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009995 0.77 HDAC6 (0.35) PDK1PDK2PDK3PDK4CA1
SCHEMBL6009965 0.77 HDAC6 (0.35) PDK1PDK2PDK3PDK4CA1

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.