SCHEMBL5164879

SCHEMBL5164879

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1.O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)c1.O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1.O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccccc3F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.54
LIMK2 P53671 1/20 0.45
SLC22A12 Q96S37 4/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HTR6 P50406 2/20 0.42
PTK2B Q14289 1/20 0.42
IDH1 O75874 2/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3556993 0.86 SLC22A12 (0.54) SLC16A3SLC22A12KMT2AMEN1IDH1
SCHEMBL3556820 0.85 SLC16A3 (0.57) SLC16A3LMNAPOLBHTR6PTK2B
SCHEMBL3560333 0.83 PTK2B (0.60) SLC16A3LMNAKMT2AMEN1POLB
SCHEMBL3555622 0.82 SLC16A3 (0.72) SLC16A3LIMK2LMNAMAPTKMT2A
SCHEMBL3562430 0.79 IDH1 (0.53) SLC16A3SLC22A12MAPTKMT2AMEN1
SCHEMBL3555827 0.79 PKLR (0.53) SLC16A3SLC22A12KMT2AMEN1IDH1
SCHEMBL3560292 0.78 PTK2B (0.50) SLC16A3LIMK2LMNAHTR6PTK2B
SCHEMBL3557793 0.78 SLC16A3 (0.56) SLC16A3LMNAKMT2AMEN1PTK2B
SCHEMBL3562289 0.77 MAPT (0.61) SLC16A3LMNAMAPTKMT2AMEN1
SCHEMBL3720283 0.77 SLC22A12 (0.62) SLC22A12LMNAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO claimed