SCHEMBL1889501

SCHEMBL1889501

C[Si](C)(C)CCOCn1c(-c2ccc3cc(Cl)ncc3c2)cnc1[C@@H]1CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.37
CPT2 P23786 2/20 0.37
F11 P03951 2/20 0.36
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
ABL1 P00519 2/20 0.33
SPHK2 Q9NRA0 5/20 0.33
SPHK1 Q9NYA1 4/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DGAT1 O75907 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
BTK Q06187 2/20 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
SCHEMBL1890280 0.91 TSHR (0.37) F11
SCHEMBL934402 0.89 CPT1A (0.35) CPT1ACPT2F11SCDSCD5
SCHEMBL933906 0.85 SPHK2 (0.36) CPT1AF11SCDSCD5SPHK2
SCHEMBL934444 0.85 SPHK2 (0.36) CPT1ACPT2F11SCDSCD5
SCHEMBL2579925 0.85 F11 (0.36) CPT1ACPT2F11SCDSCD5
SCHEMBL932212 0.84 SPHK2 (0.34) CPT1ACPT2F11SCD5SPHK2
SCHEMBL932607 0.84 CHEK2 (0.36) SPHK2SPHK1
SCHEMBL932514 0.83 DGAT1 (0.36) CPT1ACPT2F11SCDSCD5
SCHEMBL933350 0.83 ESR2 (0.35) CPT1ACPT2F11SCDSCD5
SCHEMBL932651 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US 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 CPT1A 90/4885CPT2 2536/4885F11 1755/4885

“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.