SCHEMBL538971

SCHEMBL538971

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.39
EGLN2 Q96KS0 1/20 0.37
ABCB1 P08183 4/20 0.36
GPR119 Q8TDV5 2/20 0.36
DRD2 P14416 5/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL13152804 1.00 PGR (0.39) PGREGLN2ABCB1GPR119DRD2
SCHEMBL15255661 0.88 PGR (0.39) PGREGLN2ABCB1GPR119DRD2
SCHEMBL9923372 0.87 AKT1 (0.41) PGREGLN2ABCB1GPR119DRD2
SCHEMBL14161428 0.85 EGLN2 (0.38) PGREGLN2ABCB1GPR119DRD2
SCHEMBL361749 0.85 AKT1 (0.40) PGREGLN2ABCB1GPR119DRD2
SCHEMBL13256652 0.84 PGR (0.37) PGREGLN2ABCB1GPR119DRD2
SCHEMBL3052055 0.84 EGLN2 (0.38) PGREGLN2ABCB1GPR119DRD2
SCHEMBL15401804 0.83 NPC1 (0.43) DRD2
SCHEMBL10167174 0.83 NPC1 (0.43) DRD2
SCHEMBL15401802 0.83 NPC1 (0.43) DRD2

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 3 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
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB PGR 1830/4885EGLN2 3016/4885ABCB1 1153/4885

“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.