SCHEMBL5563552

SCHEMBL5563552

CC(C)(Cc1ccc(CC(=O)O)cc1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.47
CASR P41180 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ADRB3 P13945 2/20 0.37
CYP19A1 P11511 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 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
SCHEMBL5563548 1.00 ADRB2 (0.47) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL2962080 0.95 ADRB2 (0.48) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL2962085 0.95 ADRB2 (0.48) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL14204698 0.94 ADRB2 (0.46) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL5140719 0.92 ADRB2 (0.47) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL5140718 0.92 ADRB2 (0.47) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL5037668 0.89 ADRB2 (0.47) ADRB2CASRTRPV1PDE4APDE4B
SCHEMBL5566113 0.88 ADRB3 (0.41) ADRB2TRPV1PDE4APDE4BPDE4C
SCHEMBL5566115 0.88 ADRB3 (0.41) ADRB2TRPV1PDE4APDE4BPDE4C
SCHEMBL13842583 0.87 ADRB2 (0.45) ADRB2CASRTRPV1PDE4APDE4B

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-1708992-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-08-08 EP disclosed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed