SCHEMBL934404

SCHEMBL934404

C[Si](C)(C)CCOCn1c(I)cnc1[C@@H]1CCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.32
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 2/20 0.30
BTK Q06187 1/20 0.30
TP53 P04637 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
PRCP P42785 1/20 0.30

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
SCHEMBL934406 1.00 DGAT1 (0.32) DGAT1SCDSCD5CCNCCDK8
SCHEMBL2450772 0.88 ALDH1A1 (0.41) MAPTTP53
SCHEMBL2450771 0.88 ALDH1A1 (0.41) MAPTTP53
SCHEMBL933195 0.88 MAPT (0.32) DGAT1SCDSCD5NPC1MAPT
SCHEMBL933196 0.88 MAPT (0.32) DGAT1SCDSCD5NPC1MAPT
SCHEMBL749358 0.86 DGAT1 (0.33) DGAT1SCDSCD5BTKCPT2
SCHEMBL27978679 0.85 TP53 (0.31) DGAT1SCDSCD5MAPTTP53
SCHEMBL16499389 0.82 F11 (0.32) CPT2CPT1A
SCHEMBL2579925 0.82 F11 (0.36) DGAT1SCDSCD5NPC1MAPT
SCHEMBL750762 0.82 PLAT (0.34) DGAT1PRCP

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
WO-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO 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 DGAT1 1994/4885SCD 2889/4885SCD5 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.