SCHEMBL1623311

SCHEMBL1623311

O=C(NS(=O)(=O)CCOCc1ccccc1)c1ccc(B(O)O)cc1OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.44
ADRB1 P08588 8/20 0.43
SGMS2 Q8NHU3 1/20 0.38
C5AR1 P21730 1/20 0.37
PDE4B Q07343 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL1622581 0.87 ADRB3 (0.45) ADRB3ADRB1SGMS2PDE4BMEN1
SCHEMBL1623215 0.82 SCN9A (0.39) ADRB3ADRB1PDE4BSCN5ASCN9A
SCHEMBL1622604 0.81 SCN9A (0.39) ADRB3ADRB1PDE4BALDH1A1SCN5A
SCHEMBL4585947 0.77 SCN9A (0.56) ADRB3ADRB1SCN9A
SCHEMBL29958023 0.72 PDE4A (0.44) ADRB3ADRB1PDE4BPDE4APDE4C
SCHEMBL1621085 0.69 PDE5A (0.47) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL30261322 0.68 SCN9A (0.64) SCN5ASCN9A
SCHEMBL29304255 0.68 SCN9A (0.64) SCN5ASCN9A
SCHEMBL1622237 0.67 SCN9A (0.40) ADRB3ADRB1PDE4BSCN5ASCN9A
SCHEMBL1622647 0.66 ADRB3 (0.81) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO 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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885ADRB1 19/4885SGMS2 704/4885

“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.