SCHEMBL5164544

SCHEMBL5164544

Cc1cccc(S(=O)(=O)Nc2ccccc2CCc2cccc(C(=O)O)c2)c1.O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.O=C(O)c1cccc(CCc2ccccc2NS(=O)(=O)c2cccc(F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.63
AKR1C3 P42330 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
SLC10A6 Q3KNW5 1/20 0.45
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
PTK2B Q14289 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
ACLY P53396 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
SCHEMBL3560831 0.89 SLC16A3 (0.72) SLC16A3AKR1C3KMT2AMEN1GAA
SCHEMBL3556199 0.87 SLC16A3 (0.74) SLC16A3AKR1C3KMT2AMEN1RAB9A
SCHEMBL3556646 0.87 SLC16A3 (0.82) SLC16A3AKR1C3KMT2AMEN1RAB9A
SCHEMBL3553475 0.86 SLC16A3 (0.71) SLC16A3KMT2AMEN1GAARAB9A
SCHEMBL3559492 0.83 SLC16A3 (0.64) SLC16A3AKR1C3KMT2AMEN1GAA
SCHEMBL3560616 0.81 SLC16A3 (0.72) SLC16A3AKR1C3KMT2AMEN1RAB9A
SCHEMBL3558355 0.81 SLC16A3 (0.79) SLC16A3KMT2AMEN1GAARAB9A
SCHEMBL3556687 0.81 SLC16A3 (0.65) SLC16A3AKR1C3KMT2AMEN1RAB9A
SCHEMBL3562402 0.81 SLC16A3 (0.63) SLC16A3KMT2AMEN1GAARAB9A
SCHEMBL3564977 0.79 SLC16A3 (0.67) SLC16A3KMT2AMEN1GAARAB9A

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