Sugi Predict

Sugi Predict / Compounds / SCHEMBL1024356

SCHEMBL1024356

SCHEMBL1024356

CCOC(=O)CC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MTOR P42345 3/20 0.36
▸ RPTOR Q8N122 3/20 0.36
▸ MLST8 Q9BVC4 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL2680051 0.90 DGAT1 (0.41) DGAT1KDM4EL3MBTL1HSD17B10NPC1
SCHEMBL1073117 0.90 DGAT1 (0.41) DGAT1KDM4EL3MBTL1HSD17B10NPC1
SCHEMBL595034 0.90 DGAT1 (0.41) DGAT1KDM4EL3MBTL1MTORHSD17B10
SCHEMBL7875234 0.89 DGAT1 (0.42) DGAT1KDM4EL3MBTL1MTORRPTOR
SCHEMBL2723620 0.88 DGAT1 (0.43) DGAT1MTORRPTORMLST8HSD17B10
SCHEMBL583959 0.88 DGAT1 (0.42) DGAT1KDM4EL3MBTL1HSD17B10NPC1
SCHEMBL7874771 0.88 DGAT1 (0.41) DGAT1KDM4EL3MBTL1MTORRPTOR
SCHEMBL20162 0.87 DGAT1 (0.42) DGAT1MTORRPTORMLST8NPC1
SCHEMBL20981 0.87 DGAT1 (0.39) DGAT1KDM4EL3MBTL1MTORRPTOR
SCHEMBL10237541 0.87 DGAT1 (0.40) DGAT1KDM4EL3MBTL1MTORRPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885KDM4E 799/4885L3MBTL1 1411/4885

“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.