SCHEMBL1622541

SCHEMBL1622541

CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(Br)cc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.41
SCN5A Q14524 2/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.37
ADRB3 P13945 4/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL1620612 0.86 SCN9A (0.40) SCN9ASCN5AADRB3CCNE1CDK2
SCHEMBL1622237 0.83 SCN9A (0.40) SCN9ASCN5AADRB3
SCHEMBL1622188 0.77 ALDH1A1 (0.38) ALDH1A1ADRB3
SCHEMBL1622385 0.77 ALDH1A1 (0.38) ALDH1A1ADRB3
SCHEMBL1622604 0.71 SCN9A (0.39) SCN9ASCN5AALDH1A1ADRB3
SCHEMBL1621115 0.71 SCN9A (0.42) SCN9ASCN5AADRB3
SCHEMBL27172075 0.70 PTGDR (0.50) PTGDRPTGDR2ALDH1A1
SCHEMBL1620627 0.67 PTGDR (0.55) PTGDRPTGDR2
SCHEMBL5177284 0.67 ADRB3 (0.42) SCN9ASCN5APTGDRPTGDR2ALDH1A1
SCHEMBL29235299 0.66 PTGDR (0.50) PTGDRPTGDR2CDK2

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 SCN9A 1123/4885SCN5A 2443/4885PTGDR 71/4885

“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.