SCHEMBL8099012

SCHEMBL8099012

CCCCCCCCCCS(=O)(=O)NC(=O)c1cnc(OC(=O)O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
PTPN1 P18031 1/20 0.42
PPARG P37231 7/20 0.41
SCN9A Q15858 3/20 0.40
GABRA5 P31644 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
SCHEMBL8103943 1.00 SMPD1 (0.42) SMPD1PTPN1PPARGSCN9AGABRA5
SCHEMBL8097631 0.92 SMPD1 (0.42) SMPD1PTPN1PPARGSCN9A
SCHEMBL8767147 0.88 MGLL (0.39) SMPD1PTPN1PPARGSCN9A
SCHEMBL8766955 0.88 MGLL (0.39) SMPD1PTPN1PPARGSCN9A
SCHEMBL8874924 0.85 SMPD1 (0.44) SMPD1PTPN1PPARGGABRA5
SCHEMBL8875849 0.85 SMPD1 (0.44) SMPD1PTPN1PPARGGABRA5
SCHEMBL8099518 0.84 PPARG (0.40) SMPD1PPARGSCN9A
SCHEMBL8105616 0.84 PPARG (0.40) SMPD1PPARGSCN9A
SCHEMBL8767779 0.84 GABRA5 (0.39) SMPD1PTPN1PPARGSCN9AGABRA5
SCHEMBL8098997 0.83 PPARG (0.45) SMPD1PPARG

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-0673932-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 2000-06-07 EP disclosed
EP-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
EP-0673932-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed