SCHEMBL8095827

SCHEMBL8095827

COc1ccc(CC(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.65
PKM P14618 2/20 0.61
CA5A P35218 1/20 0.61
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 2/20 0.60
NFKB1 P19838 2/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.49
PTGS1 P23219 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
FABP4 P15090 2/20 0.47
HSD17B10 Q99714 2/20 0.45
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL48765 0.88 PKM (0.57) GAAPKMCA5ATDP1TSHR
SCHEMBL21598826 0.88 GAA (0.65) GAAPKMCA5ATDP1TSHR
SCHEMBL30610782 0.88 PKM (0.57) GAAPKMCA5ATDP1TSHR
SCHEMBL8930353 0.86 CA5A (0.67) GAAPKMCA5ATDP1TSHR
SCHEMBL8893349 0.85 PKM (0.58) GAAPKMCA5ATDP1HTT
SCHEMBL9724436 0.85 CA5A (0.61) GAAPKMCA5ATDP1TSHR
SCHEMBL6550393 0.84 PKM (0.54) GAAPKMCA5ATDP1TSHR
SCHEMBL1807384 0.83 PKM (0.58) PKMCA5AALDH1A1HTTADRA1D
SCHEMBL3951669 0.81 PKM (0.50) GAAPKMCA5ATDP1TSHR
SCHEMBL3945648 0.81 PKM (0.50) GAAPKMCA5ATDP1TSHR

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-0726250-B1 Substituted benzenesulfonylureas and -thioureas, process for their preparation and their use in the production of pharmaceutical preparations as well as pharmaceutical preparations containing them HOECHST AG (DE) 2000-11-02 EP disclosed
US-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0726250-A1 Substituted benzenesulfonylureas and -thioureas, process for their preparation and their use in the production of pharmaceutical preparations as well as pharmaceutical preparations containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-14 EP disclosed