SCHEMBL6218902

SCHEMBL6218902

CC(C)CC(CS(=O)(=O)N1CCC(Oc2ccc(F)cc2Br)CC1)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.42
IKBKB O14920 1/20 0.41
UTS2R Q9UKP6 1/20 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
ALDH1A1 P00352 2/20 0.37
RORC P51449 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 1/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 1/20 0.35
GPR6 P46095 6/20 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
SCHEMBL6218839 0.91 PTGDR (0.42) PTGDRIKBKBUTS2RPDE4APDE4B
SCHEMBL6104086 0.91 PTGDR (0.45) PTGDRIKBKBUTS2RALDH1A1RORC
SCHEMBL6247991 0.84 PTGDR (0.38) PTGDRIKBKBPDE4APDE4BPDE4C
SCHEMBL6247984 0.84 PTGDR (0.38) PTGDRIKBKBPDE4APDE4BPDE4C
SCHEMBL6247985 0.84 PTGDR (0.38) PTGDRIKBKBPDE4APDE4BPDE4C
SCHEMBL6221153 0.84 IKBKB (0.44) PTGDRIKBKBALDH1A1RORCL3MBTL1
SCHEMBL6220281 0.83 EPHX2 (0.41) PTGDRIKBKBUTS2RPDE4APDE4B
SCHEMBL6362089 0.80 PTGDR (0.41) PTGDRIKBKBUTS2RPDE4APDE4B
SCHEMBL6245804 0.77 PTGDR (0.44) PTGDRIKBKBUTS2RALDH1A1POLB
SCHEMBL6104724 0.77 PTGDR (0.44) PTGDRIKBKBUTS2RALDH1A1POLB

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-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed