SCHEMBL933620

SCHEMBL933620

CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)O)n4COCC[Si](C)(C)C)cn3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.36
SPHK2 Q9NRA0 6/20 0.34
SPHK1 Q9NYA1 4/20 0.34
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
BTK Q06187 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
MAPT P10636 1/20 0.31
F11 P03951 1/20 0.31

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
SCHEMBL933906 0.94 SPHK2 (0.36) DGAT1SPHK2SPHK1SCDSCD5
SCHEMBL1885778 0.93 DGAT1 (0.35) DGAT1SPHK2SPHK1MAPT
SCHEMBL1886316 0.93 SPHK2 (0.38) DGAT1SPHK2SPHK1SCDSCD5
SCHEMBL932651 0.89 DGAT1 (0.36) DGAT1
SCHEMBL932514 0.88 DGAT1 (0.36) DGAT1SCDSCD5BTKCPT2
SCHEMBL934415 0.88 DGAT1 (0.39) DGAT1SPHK2SPHK1SCDSCD5
SCHEMBL12661149 0.87 GPR119 (0.36) SPHK2SPHK1MAPT
SCHEMBL934514 0.86 SPHK2 (0.37) SPHK2SPHK1MAPT
SCHEMBL1888626 0.85 DGAT1 (0.37) DGAT1MAPT
SCHEMBL933254 0.83 DGAT1 (0.37) DGAT1

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 DGAT1 1994/4885SPHK2 4322/4885SPHK1 4028/4885

“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.