SCHEMBL7144491

SCHEMBL7144491

CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)c(S(C)(=O)=O)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.53
GAB1 Q13480 5/20 0.53
IRS1 P35568 3/20 0.53
ALDH1A1 P00352 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PDPK1 O15530 1/20 0.41
ABCB11 O95342 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 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
SCHEMBL3610154 0.87 AKT1 (0.55) AKT1GAB1IRS1ALDH1A1FFAR4
SCHEMBL3256711 0.79 AKT1 (0.56) AKT1GAB1IRS1ALDH1A1FFAR4
SCHEMBL3256918 0.77 AKT1 (0.47) AKT1GAB1IRS1ALDH1A1FFAR4
SCHEMBL3610724 0.76 ALDH1A1 (0.59) AKT1GAB1IRS1ALDH1A1PDPK1
SCHEMBL5911686 0.73 ALDH1A1 (0.73) AKT1ALDH1A1FFAR4
SCHEMBL31681345 0.72 ALDH1A1 (0.63) ALDH1A1FFAR4
SCHEMBL3609991 0.71 KMT2A (0.51) ALDH1A1
SCHEMBL3618698 0.70 KMT2A (0.56) ALDH1A1
SCHEMBL5912136 0.70 ALDH1A1 (0.79) AKT1GAB1IRS1ALDH1A1
SCHEMBL7093105 0.70 AKT1 (0.47) AKT1GAB1IRS1ALDH1A1FFAR4

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-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed