SCHEMBL538373

SCHEMBL538373

CC1(O)CC(NC(=O)OC(C)(C)C)(c2ccc(C(=O)Cc3ccccc3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
SRD5A2 P31213 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GRIN2B Q13224 1/20 0.38
STS P08842 1/20 0.37
AKT1 P31749 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
ATM Q13315 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR5 Q9H228 1/20 0.35
IDO1 P14902 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35

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
SCHEMBL10167166 1.00 L3MBTL1 (0.39) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL512719 1.00 L3MBTL1 (0.39) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL10226688 0.89 L3MBTL1 (0.39) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL12376145 0.89 MAPT (0.43) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL361871 0.87 AKT1 (0.42) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL12583792 0.87 L3MBTL1 (0.41) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL10226581 0.86 KDM4E (0.37) L3MBTL1MAPTSRD5A2CA12CA1
SCHEMBL14876686 0.85 L3MBTL1 (0.46) L3MBTL1MAPTSRD5A2STSKMT2A
SCHEMBL14876685 0.85 L3MBTL1 (0.46) L3MBTL1MAPTSRD5A2STSKMT2A
SCHEMBL15401802 0.78 NPC1 (0.43) AKT1CTSSCTSK

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 L3MBTL1 1653/4885MAPT 4496/4885SRD5A2 3746/4885

“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.