SCHEMBL5505013

SCHEMBL5505013

O=S(=O)(O)CC(F)(F)CNC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 8/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ANPEP P15144 2/20 0.31

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
SCHEMBL5501035 0.98 PDK1 (0.37) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5500497 0.98 PDK1 (0.37) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5507395 0.93 PKM (0.32)
SCHEMBL18232633 0.78 EPHX1 (0.35) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5506880 0.77 ADH1B (0.36) KDM4EHPGDEPHX1CA12CA1
SCHEMBL5507249 0.76 ADH1B (0.39) KDM4EHPGDEPHX1CA12CA1
SCHEMBL5500645 0.75 PDK1 (0.38) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5504355 0.74 PDK1 (0.40) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5502047 0.73 TDP1 (0.35)
SCHEMBL5508403 0.73 GRIN2B (0.48) NPC1RAB9ACA1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO 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.