SCHEMBL934514

SCHEMBL934514

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)nc2)n1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.37
SPHK1 Q9NYA1 4/20 0.37
CHEK2 O96017 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
USP30 Q70CQ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL12661149 0.96 GPR119 (0.36) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL1885778 0.93 DGAT1 (0.35) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL1886316 0.93 SPHK2 (0.38) SPHK2SPHK1
SCHEMBL1887118 0.93 CHEK2 (0.38) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL933654 0.90 CHEK2 (0.36) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL932607 0.90 CHEK2 (0.36) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL933906 0.88 SPHK2 (0.36) SPHK2SPHK1
SCHEMBL1889126 0.88 CHEK2 (0.35) SPHK2SPHK1CHEK2GPR119L3MBTL1
SCHEMBL690316 0.87 ALDH1A1 (0.39) L3MBTL1NPC1ALDH1A1MEN1LMNA
SCHEMBL933620 0.86 DGAT1 (0.36) SPHK2SPHK1MAPT

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 3 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
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 SPHK2 4322/4885SPHK1 4028/4885CHEK2 3724/4885

“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.