SCHEMBL8765835

SCHEMBL8765835

C=CCc1ccc(S(=O)(=O)C(=O)O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 3/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8765889 0.83 POLB (0.49) POLBPTGDRPTGDR2GABRA1GABRB2
SCHEMBL8766839 0.81 POLB (0.42) POLBPTGDRPTGDR2LMNAPDK1
SCHEMBL7946233 0.81 POLB (0.46) POLBPTGDRPTGDR2GABRA1GABRB2
SCHEMBL7946506 0.78 POLB (0.44) POLBPTGDRPTGDR2GABRA1GABRB2
SCHEMBL11333301 0.70 HSD17B10 (0.46) POLBPTGDRPTGDR2GABRA1GABRB2
SCHEMBL249746 0.69 IDO1 (0.54) POLBPTGDRPTGDR2LMNAALDH1A1
SCHEMBL30956678 0.69 IDO1 (0.54) POLBPTGDRPTGDR2LMNAALDH1A1
SCHEMBL8766705 0.68 PTGDR (0.37) POLBPTGDRPTGDR2GABRA1GABRB2
Bromide SCHEMBL28225209 0.68 IDO1 (0.52) POLBPTGDRPTGDR2LMNAALDH1A1
SCHEMBL8660346 0.67 POLB (0.57) POLBGABRA1GABRB2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619303-B1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AG (DE) 1997-08-13 EP claimed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US claimed
JP-6340613-A None JP disclosed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US disclosed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US disclosed
JP-H06340613-A 4-ALKYL-3-CHLOROBENZENESULFINIC ACID, 4-ALKYL-3-CHLOROBENZENESULFONYLCARBOXYLIC ACID, 4-ALKYL-3-CHLOROALKYLSULFONYLBENZENE AND THEIR PREPARATION HOECHST AG 1994-12-13 JP disclosed
EP-0619303-A1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed