SCHEMBL933407

SCHEMBL933407

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3cnc4cc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)ccc4n3)nc2)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.32
CHEK2 O96017 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
HPGDS O60760 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL1889043 0.98 DGAT1 (0.34) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL932641 0.95 HPGDS (0.33) CHEK2GPR119HPGDSMEN1ALDH1A1
SCHEMBL1892009 0.92 CHEK2 (0.34) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL933689 0.92 HPGDS (0.33) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL933276 0.91 GPR119 (0.32) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL1888257 0.90 HPGDS (0.31) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL12661193 0.89 CHEK2 (0.34) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL1891182 0.88 CHEK2 (0.33) CHEK2GPR119MEN1ALDH1A1LMNA
SCHEMBL932995 0.88 GPR119 (0.33) DGAT1CHEK2GPR119HPGDSMEN1
SCHEMBL933190 0.87 CHEK2 (0.31) DGAT1CHEK2GPR119

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS DGAT1 1994/4885CHEK2 3724/4885GPR119 2249/4885

“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.