SCHEMBL5498970

SCHEMBL5498970

CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ITGAV P06756 2/20 0.45
NR3C1 P04150 1/20 0.43
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL17492385 0.79 SMN1; SMN2 (0.51) SLC1A3SLC1A2SLC1A1ALDH1A1L3MBTL1
SCHEMBL3908615 0.79 PSEN1 (0.59) SLC1A3SLC1A2SLC1A1ITGAVNR3C1
SCHEMBL3198196 0.77 NR3C1 (0.46) ITGAVNR3C1ALDH1A1ALOX5APFEN1
SCHEMBL1716735 0.77 MMP2 (0.49) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL1716737 0.77 MMP2 (0.49) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL28878517 0.74 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ITGAVNR3C1
SCHEMBL1734801 0.74 ITGAV (0.67) SLC1A3SLC1A2SLC1A1ITGAVCTSL
SCHEMBL1734803 0.74 ITGAV (0.67) SLC1A3SLC1A2SLC1A1ITGAVCTSL
Gsi-136 SCHEMBL27544047 0.73 PSEN1 (0.66) KMT2AALDH1A1GAATSHRHTT
Gsi-136 SCHEMBL1168789 0.73 PSEN1 (0.66) KMT2AALDH1A1GAATSHRHTT

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-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP disclosed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP disclosed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO disclosed