SCHEMBL239506

SCHEMBL239506

CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(O)(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 5/20 0.37
FPR3 P25089 6/20 0.37
FPR2 P25090 6/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
AKT1 P31749 2/20 0.33
AKT2 P31751 1/20 0.33
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL10167174 0.86 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL15401804 0.86 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL15401802 0.86 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL10226676 0.83 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL2588632 0.83 NPC1 (0.47) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL237513 0.82 AAK1 (0.47) DRD2AAK1
SCHEMBL17448609 0.81 NPC1 (0.46) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL360875 0.80 AKT1 (0.45) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL1141296 0.80 NPC1 (0.45) NPC1RECQLRAB9ASMN1; SMN2DRD2
SCHEMBL1538486 0.80 NPC1 (0.40) NPC1RECQLRAB9ASMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 NPC1 1127/4885RECQL 2979/4885RAB9A 778/4885

“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.