SCHEMBL9997129

SCHEMBL9997129

CC(=O)Nc1cccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.62
PKM P14618 1/20 0.58
APAF1 O14727 1/20 0.53
CASP6 P55212 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MCL1 Q07820 1/20 0.53
SIRT5 Q9NXA8 2/20 0.52
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ACLY P53396 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15056009 0.89 SMN1; SMN2 (0.62) PFKFB3PKMHSD17B1HSD17B2KDM4E
SCHEMBL9997986 0.87 PFKFB3 (0.71) PFKFB3TDP1MCL1KDM4EALDH1A1
SCHEMBL9996891 0.86 PFKFB3 (0.67) PFKFB3MCL1SIRT5HSD17B2ALDH1A1
SCHEMBL9998019 0.85 PFKFB3 (0.66) PFKFB3MCL1HSD17B1HSD17B2ALDH1A1
SCHEMBL9996789 0.85 PFKFB3 (0.69) PFKFB3PKMTDP1MCL1HSD17B1
SCHEMBL9997306 0.84 PFKFB3 (0.64) PFKFB3MCL1ALDH1A1HSD17B10ACLY
SCHEMBL9997213 0.84 PFKFB3 (0.66) PFKFB3MCL1SIRT5HSD17B2ALDH1A1
SCHEMBL9996882 0.84 PFKFB3 (0.69) PFKFB3MCL1ALDH1A1HSD17B10ACLY
SCHEMBL9997235 0.83 PFKFB3 (0.63) PFKFB3MCL1ALDH1A1HSD17B10ACLY
SCHEMBL9997237 0.83 APAF1 (0.67) PKMAPAF1CASP6TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP claimed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PFKFB3 1/4885PKM 29/4885APAF1 1737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.