SCHEMBL5281121

SCHEMBL5281121

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.40
NPC1 O15118 2/20 0.38
TNF P01375 1/20 0.38
RAB9A P51151 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP4F2 P78329 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
SCHEMBL924868 0.88 NPC1 (0.38) TAS2R14NPC1TNFRAB9ANOD1
SCHEMBL5284079 0.87 HIF1A (0.38) TAS2R14NPC1TNFRAB9ANOD1
SCHEMBL5425873 0.85 POLB (0.37) TAS2R14NPC1TNFRAB9ANOD1
SCHEMBL5425396 0.84 POLB (0.41) TAS2R14NPC1TNFRAB9ANOD1
SCHEMBL5429167 0.83 CYP4F2 (0.38) TAS2R14NPC1TNFRAB9ANOD1
SCHEMBL5284320 0.81 MAPK1 (0.43) TAS2R14TSHRMEN1KMT2AMAPT
SCHEMBL5289935 0.77 NPC1 (0.40) NPC1TNFRAB9ANOD1ALDH1A1
SCHEMBL5325950 0.75 NPC1 (0.36) NPC1TNFRAB9ANOD1ALDH1A1
SCHEMBL19602565 0.74 CA1 (0.39) TAS2R14NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22175627 0.72 ALOX15 (0.39) CYP4F2CYP4A11

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-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-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 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 (2 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 TAS2R14 2327/4885NPC1 1200/4885TNF 4697/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR TAS2R14 2679/4885NPC1 292/4885TNF 4641/4885

“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.