SCHEMBL7540444

SCHEMBL7540444

COc1ccc(S(=O)(=O)N(CCSC)Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.63
BMP1 P13497 1/20 0.63
CXCR3 P49682 2/20 0.62
PTGES O14684 1/20 0.62
TAS2R8 Q9NYW2 1/20 0.62
CNR2 P34972 2/20 0.61
CNR1 P21554 1/20 0.61
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL28729777 0.86 TAS2R14 (0.80) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL6321588 0.84 TAS2R14 (0.69) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL6324095 0.84 TAS2R14 (0.65) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL7343981 0.82 BMP1 (0.77) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL2445958 0.81 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL5092519 0.79 KEAP1 (0.81) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL9287153 0.79 RORC (0.68) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL13900691 0.79 TAS2R14 (0.65) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL6997496 0.78 BMP1 (0.89) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL22265923 0.78 ALDH1A1 (0.66) TAS2R14BMP1CXCR3PTGESTAS2R8

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-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO disclosed