SCHEMBL8530545

SCHEMBL8530545

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(C)c1c[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43

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
SCHEMBL8532771 0.93
SCHEMBL14862819 0.91
SCHEMBL8053154 0.88 MGAM (0.45)
SCHEMBL10469556 0.86 CYSLTR2 (0.44)
SCHEMBL9472452 0.86
SCHEMBL8532835 0.86
SCHEMBL159361 0.86
SCHEMBL9489442 0.83
SCHEMBL4466433 0.83 CYSLTR1 (0.60)
SCHEMBL4117791 0.83 PLA2G4A (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP claimed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP claimed
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
EP-0531078-B1 (R)-3-Methoxy-4- 1-methyl-5-(2-methyl-4,4,4-trifluorobutylcarbamoyl)indol-3-ylmethyl -N-(2-methylsulphonyl)benzamide in crystalline form ZENECA LTD (GB) 1996-06-05 EP disclosed
US-5466826-A Crystallization of indole derivative from solvents as antiasthmatics IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-11-14 US disclosed
EP-0489548-B1 A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5352694-A 3-methoxy-4(1-methyl-5(2-methyl-4,4,4-trifluorobutylcarbamoyl) indole-3-ylmethyl)-N-(2-methylphenylsulphonyl) benzamide; leukotriene antagonist used for asthma treatment IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-10-04 US disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
US-5274118-A Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-28 US disclosed
EP-0531078-A1 (R)-3-Methoxy-4- 1-methyl-5-(2-methyl-4,4,4-trifluorobutylcarbamoyl)indol-3-ylmethyl -N-(2-methylsulphonyl)benzamide in crystalline form ZENECA LIMITED (GB) 1993-03-10 EP disclosed
EP-0489548-A1 A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed