SCHEMBL934444

SCHEMBL934444

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.36
SPHK1 Q9NYA1 4/20 0.36
CPT1A P50416 5/20 0.35
CPT2 P23786 3/20 0.35
CPT1B Q92523 1/20 0.35
F11 P03951 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
BTK Q06187 4/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
FTO Q9C0B1 1/20 0.33

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
SCHEMBL934402 0.95 CPT1A (0.35) SPHK2SPHK1CPT1ACPT2CPT1B
SCHEMBL932514 0.92 DGAT1 (0.36) CPT1ACPT2CPT1BF11BTK
SCHEMBL933654 0.91 CHEK2 (0.36) SPHK2SPHK1
SCHEMBL933350 0.91 ESR2 (0.35) CPT1ACPT2CPT1BF11SCD
SCHEMBL932417 0.90 CPT1A (0.33) SPHK2SPHK1CPT1ACPT2CPT1B
SCHEMBL932607 0.89 CHEK2 (0.36) SPHK2SPHK1
SCHEMBL1886316 0.88 SPHK2 (0.38) SPHK2SPHK1CPT1ACPT2F11
SCHEMBL933097 0.87 SPHK2 (0.36) SPHK2SPHK1CPT1ACPT2F11
SCHEMBL1887118 0.86 CHEK2 (0.38) SPHK2SPHK1
SCHEMBL12661150 0.86 ALDH1A1 (0.37)

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 4028/4885CPT1A 90/4885

“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.