SCHEMBL4297705

SCHEMBL4297705

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](COCCCOc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 3/20 0.35
PPARA Q07869 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
ITGA4 P13612 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4297046 0.91 ABCB1 (0.39) NPC1RAB9AHPGDPDE4B
SCHEMBL4299042 0.90 ABHD6 (0.36) NPC1RAB9AHPGDHRH3ITGA4
SCHEMBL13662025 0.85 NPC1 (0.34) NPC1RAB9AHPGDHRH3
SCHEMBL21752301 0.83 AGTR2 (0.39) LMNA
SCHEMBL4303290 0.83 AGTR2 (0.39) LMNA
SCHEMBL3949957 0.81 ABHD6 (0.38) KDM4EITGA4SMN1; SMN2
SCHEMBL3948290 0.80 ABCB1 (0.41)
SCHEMBL7862914 0.80 ABCB1 (0.41)
SCHEMBL4292430 0.79 PPM1D (0.34)
SCHEMBL3948770 0.78 NPC1 (0.42) NPC1RAB9AHPGDALDH1A1KDM4E

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 NPC1 111/4885RAB9A 323/4885HPGD 3107/4885

“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.