SCHEMBL5756026

SCHEMBL5756026

CCCCCCCSc1nc2ccc(S(=O)(=O)N[C@H](CC3=CC=C(CCCN4C(=O)c5ccccc5C4=O)CC3=O)C(=O)O)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARD Q03181 4/20 0.36
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.34
LDHA P00338 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.33

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
SCHEMBL6976625 0.94 ALDH1A1 (0.38) PPARGPPARAALDH1A1MEN1CYP2C9
SCHEMBL6976961 0.90 PPARG (0.43) PPARGPPARAMEN1CYP2C9KMT2A
SCHEMBL6976507 0.89 PPARG (0.43) PPARGPPARAMEN1CYP2C9KMT2A
SCHEMBL6976528 0.85 ALDH1A1 (0.42) ALDH1A1MEN1CYP2C9KMT2AMAPT
SCHEMBL5756354 0.85 MAPT (0.40) ALDH1A1MEN1CYP2C9KMT2AHTT
SCHEMBL6969845 0.85 PPARA (0.41) PPARGPPARAMEN1CYP2C9KMT2A
SCHEMBL6978363 0.84 PPARA (0.41) PPARGPPARAMEN1CYP2C9KMT2A
SCHEMBL5756033 0.83 LDHA (0.43) PPARGPPARAALDH1A1MAPTLDHA
SCHEMBL5753452 0.79 PPARG (0.51) PPARGPPARAALDH1A1MEN1CYP2C9
SCHEMBL5757695 0.79 POLB (0.51) PPARGPPARAALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208092-B1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO LTD (KR) 2006-06-21 EP disclosed
EP-1208092-A4 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO LTD (KR) 2003-01-02 EP disclosed
EP-1208092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-29 EP disclosed
WO-2001077092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-10-18 WO disclosed