SCHEMBL1622644

SCHEMBL1622644

CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(B(O)O)cc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 5/20 0.36
CA2 P00918 3/20 0.36
ADRB3 P13945 10/20 0.35
ADRB1 P08588 5/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL1620530 0.83 ADRB3 (0.35) CA2ADRB3ADRB1CA12CA1
SCHEMBL1622604 0.83 SCN9A (0.39) ADRB3ADRB1SCN9A
SCHEMBL4584918 0.80 ADRB3 (0.47) BCL2L1ADRB3ADRB1IRAK4SCN9A
SCHEMBL1620612 0.78 SCN9A (0.40) ADRB3SCN9A
SCHEMBL1622385 0.70 ALDH1A1 (0.38) CA2ADRB3ADRB1CA12CA1
SCHEMBL1623215 0.70 SCN9A (0.39) ADRB3ADRB1SCN9A
SCHEMBL1620614 0.70 ADRB3 (0.37) ADRB3ADRB1
SCHEMBL1622237 0.69 SCN9A (0.40) ADRB3ADRB1SCN9A
SCHEMBL4584315 0.66 ADRB1 (0.42) ADRB3ADRB1SCN9A
SCHEMBL4582967 0.65 SCN9A (0.43) ADRB3ADRB1SCN9A

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 BCL2L1 2200/4885CA2 1296/4885ADRB3 40/4885

“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.