SCHEMBL4700710

SCHEMBL4700710

CC(C)(F)C(F)c1cccc(C#N)c1.CC(C)(c1cccc(C#N)c1)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
CNR1 P21554 10/20 0.36
CNR2 P34972 8/20 0.36
CYP3A4 P08684 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN5 P54829 1/20 0.33
GRM5 P41594 2/20 0.33
VNN1 O95497 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL4699553 0.89 PDK1 (0.41) CNR1CNR2PDK1PDK2PDK3
SCHEMBL4699146 0.87 KIF11 (0.41) KIF11PDK1PDK2PDK3PDK4
SCHEMBL1111305 0.72 PDK1 (0.45) KIF11PDK1PDK2PDK3PDK4
SCHEMBL4698291 0.70 BACE1 (0.35) CYP3A4
SCHEMBL22302828 0.70 PTPN5 (0.44) KIF11PDK1PDK2PDK3PDK4
SCHEMBL28831875 0.69 GLA (0.44) CNR1CNR2PDK1PDK2PDK3
SCHEMBL30876217 0.69 ENPP2 (0.44) CNR1CNR2GSK3B
SCHEMBL179266 0.69 KIF11 (0.50) KIF11PDK1PDK2PDK3PDK4
SCHEMBL29421430 0.69 KIF11 (0.50) KIF11PTPN5GRM5VNN1MRGPRX4
SCHEMBL440276 0.69 KIF11 (0.50) KIF11PTPN5GRM5VNN1MRGPRX4

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-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH KIF11 4550/4885CNR1 4555/4885CNR2 4725/4885

“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.