SCHEMBL6009968

SCHEMBL6009968

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

nearest known ligand 0.38

Predicted protein targets (top 16)

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
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
EPHX1 P07099 4/20 0.33
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.30
EPHX2 P34913 2/20 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
SCHEMBL6009916 1.00 PDK1 (0.38) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6009986 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6009843 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6008669 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6010036 0.98 PDK1 (0.40) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6009052 0.93
SCHEMBL6009993 0.93
SCHEMBL8156104 0.79 PDK1 (0.38) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6009419 0.76 HDAC6 (0.33) SMN1; SMN2ALDH1A1EPHX1CA1CA12
SCHEMBL6009868 0.76 HDAC6 (0.33) SMN1; SMN2ALDH1A1EPHX1CA1CA12

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.