SCHEMBL6976961

SCHEMBL6976961

CCCCCCCSc1nc2ccc(S(=O)(=O)N[C@H](CC3=CC=C(CCCc4ccccc4)CC3=O)C(=O)O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
PPARA Q07869 10/20 0.43
PPARD Q03181 5/20 0.41
LDHA P00338 4/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL6976507 0.97 PPARG (0.43) PPARGPPARAPPARDLDHAMEN1
SCHEMBL6969845 0.95 PPARA (0.41) PPARGPPARAPPARDLDHAMEN1
SCHEMBL6978363 0.91 PPARA (0.41) PPARGPPARAPPARDLDHAMEN1
SCHEMBL5756026 0.90 PPARG (0.40) PPARGPPARAPPARDLDHAMEN1
SCHEMBL5753452 0.85 PPARG (0.51) PPARGPPARAPPARDMEN1CYP2C9
SCHEMBL5753807 0.85 PPARA (0.51) PPARGPPARAPPARDLDHAMEN1
SCHEMBL5757695 0.85 POLB (0.51) PPARGPPARAPPARDMEN1CYP2C9
SCHEMBL6976625 0.84 ALDH1A1 (0.38) PPARGPPARAPPARDLDHAMEN1
SCHEMBL5755128 0.84 PPARA (0.52) PPARGPPARAPPARDLDHAMEN1
SCHEMBL5754622 0.82 LDHA (0.47) PPARGPPARALDHAMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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