SCHEMBL932641

SCHEMBL932641

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cnc(-c3cnc4cc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)ccc4n3)nc2)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.33
CHEK2 O96017 1/20 0.33
GPR119 Q8TDV5 2/20 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
F11 P03951 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
SCHEMBL1892009 0.98 CHEK2 (0.34) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL933407 0.95 DGAT1 (0.32) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL1889043 0.92 DGAT1 (0.34) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL933689 0.91 HPGDS (0.33) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL933621 0.90 HPGDS (0.34) HPGDSCHEK2GPR119
SCHEMBL1888257 0.89 HPGDS (0.31) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL12661193 0.89 CHEK2 (0.34) HPGDSCHEK2GPR119MEN1ALDH1A1
SCHEMBL1891182 0.88 CHEK2 (0.33) CHEK2GPR119MEN1ALDH1A1LMNA
SCHEMBL1892016 0.88 CHEK2 (0.32) CHEK2GPR119
SCHEMBL1888132 0.87 HPGDS (0.34) HPGDSCHEK2GPR119MEN1ALDH1A1

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 HPGDS 1869/4885CHEK2 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.