SCHEMBL5500474

SCHEMBL5500474

O=S(O)CC(F)(F)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
HSD11B1 P28845 1/20 0.34
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
EPHX2 P34913 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 2/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 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
SCHEMBL5503651 0.74 CA1 (0.37) DPP4HSD11B1FAPDPP7EPHX2
SCHEMBL5505544 0.74 PKM (0.32)
SCHEMBL5501481 0.71 PDK1 (0.34) DPP7EPHX2EPHX1NPC1KMT2A
SCHEMBL6008654 0.71 LMNA (0.37) HSD11B1EPHX2L3MBTL1
SCHEMBL5501491 0.71 DPP4 (0.40) DPP4FAPDPP7EPHX2EPHX1
SCHEMBL5504411 0.70 PDK1 (0.37) DPP7EPHX2EPHX1NPC1KMT2A
SCHEMBL5505954 0.70 PDK1 (0.37) DPP7EPHX2EPHX1NPC1KMT2A
SCHEMBL5503709 0.68 EPHX2 (0.36) DPP4HSD11B1FAPDPP7EPHX2
SCHEMBL5504992 0.66 TDP1 (0.31)
SCHEMBL24927361 0.65 EPHX1 (0.43) HSD11B1EPHX2L3MBTL1EPHX1

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 DPP4 1442/4885HSD11B1 1054/4885FAP 33/4885

“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.