SCHEMBL4699585

SCHEMBL4699585

C=C(c1cccc(C#N)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
ENPP2 Q13822 1/20 0.42
PTPN5 P54829 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PDK2 Q15119 3/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM5 P41594 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
P4HB P07237 2/20 0.36
VNN1 O95497 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL28013821 0.80 CES1 (0.39)
SCHEMBL28080869 0.79 GSK3B (0.51) GSK3BENPP2CLK4GRM5CLK1
SCHEMBL1467062 0.79 GSK3B (0.56) GSK3BPTPN5ABCC9ABCC8KCNJ11
SCHEMBL16502093 0.77 GSK3B (0.53) GSK3BENPP2CLK4GRM5CLK1
SCHEMBL14508038 0.76 GSK3B (0.51) GSK3BENPP2CLK4GRM5CLK1
SCHEMBL3348656 0.76 GSK3B (0.51) GSK3BENPP2CLK4GRM5CLK1
SCHEMBL15585969 0.76 GSK3B (0.56) GSK3BENPP2CLK4GRM5CLK1
SCHEMBL4083136 0.74 GSK3B (0.58) GSK3BENPP2CLK4GRM5CLK1
Trifluoroacetic Acid SCHEMBL10277552 0.73 GSK3B (0.50) GSK3BABCC9ABCC8KCNJ11KCNJ8
Trifluoroacetic Acid SCHEMBL10277752 0.73 GSK3B (0.50) GSK3BABCC9ABCC8KCNJ11KCNJ8

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 5 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
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
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 GSK3B 1447/4885ENPP2 270/4885PTPN5 2605/4885

“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.