SCHEMBL932607

SCHEMBL932607

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ncc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)cn4)ccc3c2)n1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGDS O60760 3/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SPHK2 Q9NRA0 3/20 0.34
SPHK1 Q9NYA1 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1887118 0.97 CHEK2 (0.38) CHEK2ALDH1A1HPGDSTSHRMEN1
SCHEMBL932651 0.93 DGAT1 (0.36) CHEK2ALDH1A1TSHRMEN1LMNA
SCHEMBL933654 0.93 CHEK2 (0.36) CHEK2ALDH1A1HPGDSTSHRMEN1
SCHEMBL932815 0.91 ALDH1A1 (0.36) CHEK2ALDH1A1TSHRMEN1LMNA
SCHEMBL934514 0.90 SPHK2 (0.37) CHEK2ALDH1A1TSHRMEN1LMNA
SCHEMBL934276 0.90 CHEK2 (0.36) CHEK2ALDH1A1HPGDSTSHRMEN1
SCHEMBL690316 0.90 ALDH1A1 (0.39) ALDH1A1HPGDSTSHRMEN1LMNA
SCHEMBL1889126 0.90 CHEK2 (0.35) CHEK2ALDH1A1TSHRMEN1LMNA
SCHEMBL1888626 0.89 DGAT1 (0.37) CHEK2ALDH1A1TSHRMEN1LMNA
SCHEMBL934444 0.89 SPHK2 (0.36) SPHK2SPHK1

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 557/4885HPGDS 1869/4885

“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.