SCHEMBL933906

SCHEMBL933906

CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3cnc([C@@H]4CCCN4C(=O)O)n3COCC[Si](C)(C)C)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 8/20 0.36
SPHK1 Q9NYA1 4/20 0.36
SCD5 Q86SK9 4/20 0.33
SCD O00767 4/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
DGAT1 O75907 2/20 0.32
F11 P03951 2/20 0.32
CPT1A P50416 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
SCHEMBL1886316 0.96 SPHK2 (0.38) SPHK2SPHK1SCD5SCDDGAT1
SCHEMBL933620 0.94 DGAT1 (0.36) SPHK2SPHK1SCD5SCDDGAT1
SCHEMBL12661149 0.92 GPR119 (0.36) SPHK2SPHK1
SCHEMBL934514 0.88 SPHK2 (0.37) SPHK2SPHK1
SCHEMBL934402 0.87 CPT1A (0.35) SPHK2SPHK1SCD5SCDF11
SCHEMBL1885778 0.87 DGAT1 (0.35) SPHK2SPHK1DGAT1
SCHEMBL932212 0.87 SPHK2 (0.34) SPHK2SPHK1SCD5DGAT1F11
SCHEMBL1889501 0.85 CPT1A (0.37) SPHK2SPHK1SCD5SCDDGAT1
SCHEMBL932607 0.85 CHEK2 (0.36) SPHK2SPHK1
SCHEMBL932651 0.84 DGAT1 (0.36) 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 SPHK2 4322/4885SPHK1 4028/4885SCD5 3317/4885

“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.