SCHEMBL29920566

SCHEMBL29920566

CC[C@@H]1C[C@@H](CS(N)(=O)=O)c2ccc(F)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
AKR1B1 P15121 2/20 0.38
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NR3C1 P04150 3/20 0.32
NR3C2 P08235 3/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
SLC6A4 P31645 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL29920502 1.00 CA2 (0.43) CA2AKR1B1KCNE1KCNQ1HTR2A
SCHEMBL29920312 0.74 TRPV1 (0.43) KCNE1KCNQ1
SCHEMBL29920334 0.74 TRPV1 (0.43) KCNE1KCNQ1
SCHEMBL29920568 0.72 PSEN1 (0.35) CA2KCNE1KCNQ1HTR2AHTR2C
SCHEMBL29920475 0.72 PSEN1 (0.35) CA2KCNE1KCNQ1HTR2AHTR2C
SCHEMBL29920313 0.72 PSEN1 (0.35) CA2KCNE1KCNQ1HTR2AHTR2C
SCHEMBL29920403 0.70 LTB4R (0.44) CA2NR3C1NR3C2LTB4RLTB4R2
SCHEMBL29920554 0.70 LTB4R (0.44) CA2NR3C1NR3C2LTB4RLTB4R2
SCHEMBL29920748 0.70 TRPV1 (0.38) CA2KCNE1KCNQ1PSEN1PSEN2
SCHEMBL29920373 0.70 TRPV1 (0.38) CA2KCNE1KCNQ1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed