Sugi Predict

Sugi Predict / Compounds / SCHEMBL1074751

SCHEMBL1074751

SCHEMBL1074751

CCOC(=O)C1CCC(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.41
▸ ALDH1A1 P00352 8/20 0.37
▸ HPGD P15428 5/20 0.37
▸ TSHR P16473 3/20 0.37
▸ KDM4E B2RXH2 8/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MLST8 Q9BVC4 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
SCHEMBL1083359 0.90 DGAT1 (0.40) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL10238830 0.88 DGAT1 (0.39) DGAT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6890434 0.86 DGAT1 (0.40) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL2733060 0.85 DGAT1 (0.38) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL1023167 0.85 DGAT1 (0.37) DGAT1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10277748 0.84 DGAT1 (0.39) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL2680179 0.84 GPR119 (0.40) DGAT1KDM4ETP53MAPTLMNA
SCHEMBL2723694 0.84 DGAT1 (0.41) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL1073112 0.84 DGAT1 (0.39) DGAT1ALDH1A1HPGDTSHRKDM4E
SCHEMBL1024356 0.83 DGAT1 (0.52) DGAT1ALDH1A1HPGDKDM4ESMN1; SMN2

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 8 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
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 3898/4885ALDH1A1 4261/4885HPGD 3697/4885

“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.