SCHEMBL17389

SCHEMBL17389

CC(O)(c1ccc([C@]2(CNS(=O)(=O)c3ccccc3)CN(S(=O)(=O)C3=CC=CCC3=S)CCN2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.35
RORC P51449 7/20 0.33
KCNH2 Q12809 2/20 0.32
NR1I2 O75469 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL17296 0.93 RORC (0.38) HSD11B1RORCKCNH2NR1I2NR1H2
SCHEMBL16466 0.92 HSD11B1 (0.39) HSD11B1RORCKCNH2CYP3A4
SCHEMBL17668 0.89 HSD11B1 (0.34) HSD11B1RORCKCNH2NR1I2CYP3A4
SCHEMBL17452 0.88 HSD11B1 (0.32) HSD11B1KCNH2CYP3A4
SCHEMBL16964 0.87 HSD11B1 (0.31) HSD11B1KCNH2
SCHEMBL18345 0.86 HSD11B1 (0.31) HSD11B1KCNH2
SCHEMBL16912 0.85 HSD11B1 (0.34) HSD11B1RORCKCNH2NR1I2CYP3A4
SCHEMBL18291 0.85 HSD11B1 (0.39) HSD11B1RORCKCNH2NR1I2NR1H2
Hydrochloric Acid SCHEMBL17176 0.85 HSD11B1 (0.34) HSD11B1RORCKCNH2NR1I2CYP3A4
SCHEMBL17547 0.84 HSD11B1 (0.31) HSD11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed