SCHEMBL933097

SCHEMBL933097

C[Si](C)(C)CCOCn1c(-c2cnc(-c3ccc4cc(OS(=O)(=O)C(F)(F)F)ccc4c3)nc2)cnc1[C@@H]1CCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 8/20 0.36
SPHK1 Q9NYA1 4/20 0.36
DGAT1 O75907 2/20 0.34
HSD11B1 P28845 1/20 0.34
F11 P03951 2/20 0.34
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
SCD5 Q86SK9 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
BTK Q06187 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 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
SCHEMBL932212 0.96 SPHK2 (0.34) SPHK2SPHK1DGAT1HSD11B1F11
SCHEMBL1889126 0.93 CHEK2 (0.35) SPHK2SPHK1DGAT1HSD11B1
SCHEMBL934415 0.93 DGAT1 (0.39) SPHK2SPHK1DGAT1HSD11B1F11
SCHEMBL933193 0.92 DGAT1 (0.34) SPHK2SPHK1DGAT1HSD11B1F11
SCHEMBL934420 0.91 DGAT1 (0.35) SPHK2SPHK1DGAT1HSD11B1F11
SCHEMBL12661153 0.89 HDAC8 (0.36)
SCHEMBL1886316 0.88 SPHK2 (0.38) SPHK2SPHK1DGAT1F11CPT2
SCHEMBL934444 0.87 SPHK2 (0.36) SPHK2SPHK1F11CPT2CPT1A
SCHEMBL933254 0.86 DGAT1 (0.37) DGAT1
SCHEMBL932607 0.86 CHEK2 (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 SPHK2 4322/4885SPHK1 4028/4885DGAT1 1994/4885

“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.