SCHEMBL932815

SCHEMBL932815

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4cnc(-c5cnc([C@@H]6CCCN6C(=O)O)n5COCC[Si](C)(C)C)cn4)ccc3c2)n1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR119 Q8TDV5 8/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CHEK2 O96017 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL12661239 0.97 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL932651 0.94 DGAT1 (0.36) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL1886158 0.92 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL932607 0.91 CHEK2 (0.36) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL1888626 0.91 DGAT1 (0.37) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL933104 0.89 GPR119 (0.36) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL932417 0.89 CPT1A (0.33)
SCHEMBL1891182 0.88 CHEK2 (0.33) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL12661219 0.88 GPR119 (0.36) ALDH1A1TSHRL3MBTL1MEN1LMNA
SCHEMBL1887118 0.88 CHEK2 (0.38) ALDH1A1TSHRL3MBTL1MEN1LMNA

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 ALDH1A1 557/4885TSHR 4599/4885L3MBTL1 3963/4885

“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.