SCHEMBL9998019

SCHEMBL9998019

Cc1cccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.66
MCL1 Q07820 3/20 0.62
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B2 P37059 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN5 P54829 1/20 0.50
HSD17B1 P14061 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL9997289 0.93 PFKFB3 (0.61) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9997213 0.92 PFKFB3 (0.66) PFKFB3MCL1ALDH1A1HSD17B10HSD17B2
SCHEMBL9997986 0.90 PFKFB3 (0.71) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9996891 0.89 PFKFB3 (0.67) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9996845 0.88 PFKFB3 (0.64) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9996789 0.88 PFKFB3 (0.69) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9996882 0.87 PFKFB3 (0.69) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9997151 0.86 PFKFB3 (0.65) PFKFB3MCL1ALDH1A1HSD17B10MEN1
SCHEMBL9996926 0.86 PFKFB3 (0.66) PFKFB3MCL1ALDH1A1HSD17B10HPGD
SCHEMBL9997323 0.86 PFKFB3 (0.66) PFKFB3MCL1ALDH1A1HSD17B10HPGD

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