SCHEMBL934276

SCHEMBL934276

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc4cc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)ccc4n3)cc2)n1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HPGDS O60760 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F11 P03951 2/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12661134 0.97 CHEK2 (0.38) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1889464 0.93 CHEK2 (0.35) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1044322 0.90 CHEK2 (0.35) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1885141 0.90 CHEK2 (0.36) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL932607 0.90 CHEK2 (0.36) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1882908 0.90 CHEK2 (0.35) CHEK2ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL934576 0.89 USP30 (0.33) CHEK2KMT2AGPR119
SCHEMBL1887080 0.88 CHEK2 (0.36) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1890113 0.87 CHEK2 (0.36) CHEK2ALDH1A1TSHRL3MBTL1HPGDS
SCHEMBL1887118 0.87 CHEK2 (0.38) CHEK2ALDH1A1TSHRL3MBTL1HPGDS

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 CHEK2 3724/4885ALDH1A1 557/4885TSHR 4599/4885

“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.