SCHEMBL6136967

SCHEMBL6136967

CCCc1c(OCC=CS(=O)(=O)c2cccc(F)c2)ccc(C(C)=O)c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.40
CYSLTR2 Q9NS75 12/20 0.37
CYSLTR1 Q9Y271 12/20 0.37
NFE2L2 Q16236 4/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Acetic Acid SCHEMBL6136962 0.86 CYSLTR1 (0.48) CYSLTR2CYSLTR1
Acetic Acid SCHEMBL6136959 0.86 CYSLTR1 (0.48) CYSLTR2CYSLTR1
SCHEMBL6137019 0.72 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL6137141 0.72 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL10559803 0.70 CYSLTR2 (0.53) CTSDCYSLTR2CYSLTR1
SCHEMBL10775711 0.69 CYSLTR2 (0.57) CTSDCYSLTR2CYSLTR1
SCHEMBL10776074 0.68 CYSLTR2 (0.56) CTSDCYSLTR2CYSLTR1
SCHEMBL10772518 0.67 GRM2 (0.56) CYSLTR2CYSLTR1
SCHEMBL10556655 0.66 CYSLTR2 (0.53) CTSDCYSLTR2CYSLTR1
SCHEMBL7971466 0.66 CTSD (0.65) CTSDCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1011651-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP disclosed
EP-1011651-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP disclosed
US-6020382-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 2000-02-01 US disclosed
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US disclosed
WO-1997027847-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP disclosed