SCHEMBL4552872

SCHEMBL4552872

COC(=O)c1c(Br)c(C)n(COCC[Si](C)(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.36
KLKB1 P03952 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 3/20 0.33
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
F11 P03951 1/20 0.32
DGAT1 O75907 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL277472 0.76 KLKB1 (0.33) KLKB1NPC1AR
SCHEMBL30725440 0.75 NPC1 (0.33) KLKB1NPC1MAPTF11DGAT1
SCHEMBL30986487 0.75 HTT (0.34) MEN1KMT2AKLKB1NPC1MAPT
SCHEMBL7691117 0.74 NPC1 (0.34) MEN1KMT2ATSHRNPC1MAPT
SCHEMBL30889427 0.74 NPC1 (0.34) KLKB1NPC1MAPTF11DGAT1
SCHEMBL23063215 0.74 NPC1 (0.34) KLKB1NPC1MAPTF11
SCHEMBL32683286 0.74 ALDH1A1 (0.38) MEN1KMT2ATSHRKLKB1NPC1
SCHEMBL9898234 0.73 F11 (0.35) TSHRKLKB1NPC1MAPTAR
SCHEMBL15050240 0.73 NPC1 (0.34) KLKB1NPC1MAPTF11DGAT1
SCHEMBL4844103 0.73 NPSR1 (0.36) KLKB1NPC1MAPTHTTF11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MEN1 1234/4885KMT2A 1809/4885TSHR 2640/4885

“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.