SCHEMBL6136985

SCHEMBL6136985

CCCc1c(OCC(O)CS(=O)(=O)c2ccc(C(=O)O)cc2F)ccc(C(C)=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.54
CYSLTR1 Q9Y271 14/20 0.51
CYSLTR2 Q9NS75 12/20 0.51
PDE5A O76074 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
TBXAS1 P24557 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARG P37231 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL9733726 0.91 CYSLTR2 (0.57) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL6137005 0.85 GRM2 (0.66) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL6137144 0.81 GRM2 (0.55) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL10728818 0.80 GRM2 (0.61) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL10730826 0.80 GRM2 (0.61) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL6137054 0.79 PPARG (0.58) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL6136994 0.79 CYSLTR2 (0.48) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL6136969 0.79 CYSLTR2 (0.47) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL10956432 0.79 CYSLTR1 (0.61) GRM2CYSLTR1CYSLTR2PDE5AMAPT
SCHEMBL9734025 0.79 CYSLTR2 (0.57) CYSLTR1CYSLTR2PDE5AMAPTMEN1

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