SCHEMBL8538459

SCHEMBL8538459

CCC(CC)S(=O)(=O)c1cc(C)c(C(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.33
AKR1C2 P52895 6/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1C4 P17516 2/20 0.33
AKR1C1 Q04828 2/20 0.33
SCN9A Q15858 2/20 0.31
CTSS P25774 2/20 0.30
DDR1 Q08345 1/20 0.30
GSTO1 P78417 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL8544927 0.88 CA12 (0.30) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL8539798 0.87 AKR1C3 (0.32) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL8545026 0.85 EGLN1 (0.38) SCN9A
SCHEMBL8544918 0.84 POLB (0.31)
SCHEMBL8540996 0.83 DDR1 (0.39) DDR1
SCHEMBL6934527 0.82 SLC9A1 (0.52)
SCHEMBL8541951 0.80 SLC9A1 (0.41) SCN9A
SCHEMBL8538519 0.80 EGLN1 (0.40) DDR1GSTO1
SCHEMBL8538235 0.80 SLC9A1 (0.44)
SCHEMBL8536966 0.79 CNR2 (0.32) SCN9AGSTO1

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
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed