SCHEMBL2200885

SCHEMBL2200885

CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1COS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.34
NR1H2 P55055 3/20 0.33
ABCB1 P08183 1/20 0.33
HSD11B1 P28845 1/20 0.32
NR1H3 Q13133 2/20 0.32
PARP1 P09874 1/20 0.31
HCRTR2 O43614 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL2080999 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL5434124 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL8690955 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL1526484 0.87 NR1H2 (0.35) NR1H2ABCB1PARP1
SCHEMBL4560424 0.87 PPM1D (0.32)
SCHEMBL24894673 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL9383410 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL1526483 0.87 NR1H2 (0.35) NR1H2ABCB1PARP1
SCHEMBL24826386 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL2387181 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 GPR119 2275/4885NR1H2 1011/4885ABCB1 64/4885

“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.