SCHEMBL4445533

SCHEMBL4445533

CS(=O)(=O)OB(OS(C)(=O)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
PSIP1 O75475 1/20 0.38
ORAI1 Q96D31 2/20 0.37
ORAI2 Q96SN7 2/20 0.37
ORAI3 Q9BRQ5 2/20 0.37
TRPV6 Q9H1D0 2/20 0.37
KEAP1 Q14145 1/20 0.37
CA4 P22748 3/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 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
SCHEMBL852436 0.78 ORAI1 (0.41) HTR6PSIP1ORAI1ORAI2ORAI3
SCHEMBL24822140 0.72 VDR (0.46) KEAP1CA6CA5ACA7CA5B
SCHEMBL1714315 0.72 KEAP1 (0.42) HTR6PSIP1ORAI1ORAI2ORAI3
SCHEMBL3833566 0.69 CA12 (0.41) CA7CA14ALDH1A1TDP1CA12
SCHEMBL309077 0.67 CA4 (0.48) ORAI1ORAI2ORAI3TRPV6CA4
Ammonia Solution, Strong SCHEMBL28822149 0.65 CA4 (0.46) ORAI1ORAI2ORAI3TRPV6CA4
Water SCHEMBL27700277 0.65 CA4 (0.46) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL8157102 0.65 HTR6 (0.46) HTR6PSIP1KEAP1CA4CA6
SCHEMBL207124 0.65 HTR6 (0.46) HTR6PSIP1KEAP1CA4CA6
Methylphenylsulfone SCHEMBL1332357 0.64 PTGS2 (0.62) HTR6PSIP1CA4CA6CA5A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
EP-1416799-A4 METHODS AND COMPOSITIONS FOR TREATING FUNGAL INFECTIONS UNIV RAMOT (IL) 2004-11-10 EP disclosed
EP-1416799-A1 METHODS AND COMPOSITIONS FOR TREATING FUNGAL INFECTIONS Ramot at Tel Aviv University Ltd. (IL) 2004-05-12 EP disclosed
WO-2003009689-A1 METHODS AND COMPOSITIONS FOR TREATING FUNGAL INFECTIONS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-02-06 WO disclosed