SCHEMBL9997002

SCHEMBL9997002

COc1c(C)cc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.59
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 1/20 0.53
MCL1 Q07820 3/20 0.53
POLB P06746 1/20 0.48
HSD17B2 P37059 2/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
BCL2A1 Q16548 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9996845 0.89 PFKFB3 (0.64) PFKFB3ALDH1A1HSD17B10MCL1HSD17B2
SCHEMBL9997118 0.89 PFKFB3 (0.60) PFKFB3ALDH1A1HSD17B10MCL1POLB
SCHEMBL9997463 0.85 PFKFB3 (0.63) PFKFB3ALDH1A1MCL1POLBLMNA
SCHEMBL28637710 0.85 ALDH1A1 (0.55) PFKFB3ALDH1A1HSD17B10MCL1SIRT5
SCHEMBL9998019 0.85 PFKFB3 (0.66) PFKFB3ALDH1A1HSD17B10MCL1HSD17B2
SCHEMBL9997986 0.84 PFKFB3 (0.71) PFKFB3ALDH1A1HSD17B10MCL1POLB
SCHEMBL9997070 0.84 PFKFB3 (0.63) PFKFB3ALDH1A1HSD17B10MCL1MEN1
SCHEMBL9997015 0.84 PFKFB3 (0.62) PFKFB3ALDH1A1HSD17B10MCL1LMNA
SCHEMBL9997553 0.84 PFKFB3 (0.66) PFKFB3ALDH1A1HSD17B10MCL1HSD17B2
SCHEMBL9997201 0.84 PFKFB3 (0.66) PFKFB3ALDH1A1HSD17B10MCL1LMNA

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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed