SCHEMBL5284079

SCHEMBL5284079

CC(C)N(COCC[Si](C)(C)C)S(=O)(=O)c1cccc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
EPAS1 Q99814 3/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL5325950 0.88 NPC1 (0.36) HIF1AEPAS1TSHRMAPK1MAPT
SCHEMBL5281121 0.87 TAS2R14 (0.40) TSHRMAPTNPC1TNFRAB9A
SCHEMBL924868 0.75 NPC1 (0.38) TSHRMAPK1MAPTNPC1TNF
SCHEMBL5289935 0.74 NPC1 (0.40) MAPK1HTTNPC1TNFRAB9A
SCHEMBL5425873 0.73 POLB (0.37) TSHRMAPK1MAPTNPC1TNF
SCHEMBL5425396 0.72 POLB (0.41) MAPK1MAPTNPC1TNFRAB9A
SCHEMBL5429167 0.71 CYP4F2 (0.38) TSHRMAPTNPC1TNFRAB9A
SCHEMBL22175627 0.70 ALOX15 (0.39)
SCHEMBL312669 0.69 NPC1 (0.68) TSHRMAPK1NPC1TNFRAB9A
SCHEMBL925999 0.68 TDP1 (0.39) HIF1AEPAS1TSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD HIF1A 1594/4885EPAS1 1427/4885TSHR 3993/4885

“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.