SCHEMBL4297046

SCHEMBL4297046

CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1COCCCOc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
PDE4B Q07343 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
PRMT5 O14744 5/20 0.37
SRC P12931 4/20 0.37
GPR119 Q8TDV5 3/20 0.36
CHEK2 O96017 1/20 0.35
MCL1 Q07820 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL4297705 0.91 NPC1 (0.40) PDE4BNPC1HPGDRAB9A
SCHEMBL3948290 0.90 ABCB1 (0.41) ABCB1PRMT5SRC
SCHEMBL7862914 0.90 ABCB1 (0.41) ABCB1PRMT5SRC
SCHEMBL30207112 0.85 ABCB1 (0.47) ABCB1PRMT5SRCGPR119MCL1
SCHEMBL4292542 0.85 ABCB1 (0.47) ABCB1PRMT5SRCGPR119MCL1
SCHEMBL13663655 0.83 PDE4B (0.42) PDE4BNPC1HPGDRAB9ASRC
SCHEMBL8064347 0.83 PDE4B (0.42) PDE4BNPC1HPGDRAB9ASRC
SCHEMBL3945721 0.82 PDE4B (0.42) PDE4BNPC1HPGDRAB9ASRC
SCHEMBL13662025 0.82 NPC1 (0.34) NPC1HPGDRAB9A
SCHEMBL3955172 0.82 HDAC8 (0.38) ABCB1GPR119CHEK2

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF ABCB1 632/4885PDE4B 1929/4885NPC1 111/4885

“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.