SCHEMBL538374

SCHEMBL538374

CC(=O)c1ccccc1C1(NC(=O)OC(C)(C)C)CC(C)(O)C1.c1cc2ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 4/20 0.36
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
AKT1 P31749 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CYP17A1 P05093 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KIT P10721 2/20 0.32
MAPK10 P53779 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
EPHX2 P34913 1/20 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
SCHEMBL361872 0.86 MEN1 (0.38) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30537895 0.74 MEN1 (0.39) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30463159 0.73 PDK2 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL15401802 0.70 NPC1 (0.43) NPC1RAB9ACTSSCTSKAKT1
SCHEMBL15401804 0.70 NPC1 (0.43) NPC1RAB9ACTSSCTSKAKT1
SCHEMBL10167174 0.70 NPC1 (0.43) NPC1RAB9ACTSSCTSKAKT1
SCHEMBL25156379 0.70 AKT1 (0.51) MEN1NPC1RAB9AKMT2ACTSS
SCHEMBL30890423 0.69 AKT1 (0.39) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL25156100 0.68 AKT1 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30343950 0.68 AKT1 (0.43) MEN1NPC1HTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB MEN1 1792/4885NPC1 1856/4885HTT 3336/4885

“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.