SCHEMBL4698316

SCHEMBL4698316

CC(C)(CO)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ KIF11 P52732 2/20 0.44
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ GSK3B P49841 2/20 0.40
▸ VNN1 O95497 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ABCC9 O60706 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL17018569 0.84 KIF11 (0.47) CNR2CNR1KIF11PDK1PDK2
SCHEMBL3435209 0.84 CNR2 (0.46) CNR2CNR1KIF11PDK1PDK2
SCHEMBL19040922 0.81 CNR2 (0.53) CNR2CNR1KIF11PDK1PDK2
SCHEMBL15045357 0.80 CNR1 (0.47) CNR2CNR1ALDH1A1
SCHEMBL12262386 0.79 ENPP2 (0.46) CNR2CNR1KIF11PDK1PDK2
SCHEMBL23026418 0.79 KIF11 (0.44) CNR2CNR1KIF11ENPP2ACSS2
SCHEMBL4698814 0.79 KIF11 (0.42) CNR2CNR1KIF11PDK1PDK2
SCHEMBL22432052 0.79 KIF11 (0.46) CNR2CNR1KIF11PDK1PDK2
SCHEMBL18879528 0.79 CNR1 (0.49) CNR2CNR1KIF11ENPP2ACSS2
SCHEMBL179266 0.79 KIF11 (0.50) KIF11PDK1PDK2PDK3PDK4

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 CNR2 4725/4885CNR1 4555/4885KIF11 4550/4885

“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.

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