SCHEMBL5325950

SCHEMBL5325950

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
HTT P42858 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
GAA P10253 1/20 0.33
MMP8 P22894 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
SCHEMBL5284079 0.88 HIF1A (0.38) NPC1TNFRAB9ANOD1HIF1A
SCHEMBL924868 0.87 NPC1 (0.38) NPC1TNFRAB9ANOD1ADRB2
SCHEMBL5289935 0.86 NPC1 (0.40) NPC1TNFRAB9ANOD1ADRB2
SCHEMBL925999 0.78 TDP1 (0.39) HIF1AEPAS1HTTMAPK1MAPT
SCHEMBL5425873 0.78 POLB (0.37) NPC1TNFRAB9ANOD1ADRB2
SCHEMBL5429167 0.76 CYP4F2 (0.38) NPC1TNFRAB9ANOD1ADRB2
SCHEMBL5281121 0.75 TAS2R14 (0.40) NPC1TNFRAB9ANOD1MAPT
SCHEMBL5425396 0.74 POLB (0.41) NPC1TNFRAB9ANOD1MAPK1
SCHEMBL19602565 0.71 CA1 (0.39) NPC1RAB9AHTTALDH1A1LMNA
SCHEMBL19212541 0.69 RAB9A (0.68) NPC1TNFRAB9ANOD1MAPK1

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 NPC1 1200/4885TNF 4697/4885RAB9A 2271/4885

“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.