SCHEMBL5289935

SCHEMBL5289935

CN(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 3/20 0.40
RAB9A P51151 2/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL924868 0.89 NPC1 (0.38) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL5325950 0.86 NPC1 (0.36) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL925999 0.80 TDP1 (0.39) ALDH1A1MAPK1TP53SMN1; SMN2HTT
SCHEMBL5425873 0.80 POLB (0.37) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL5429167 0.78 CYP4F2 (0.38) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL5281121 0.77 TAS2R14 (0.40) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL5425396 0.76 POLB (0.41) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL5284079 0.74 HIF1A (0.38) NPC1RAB9ATNFNOD1ALDH1A1
SCHEMBL19212541 0.74 RAB9A (0.68) NPC1RAB9ATNFNOD1RXFP1
SCHEMBL19602565 0.73 CA1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2HTT

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 1200/4885RAB9A 2271/4885TNF 4697/4885

“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.