SCHEMBL9997306

SCHEMBL9997306

CC(=O)c1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.64
ACLY P53396 3/20 0.61
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MCL1 Q07820 2/20 0.53
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MAP2K7 O14733 1/20 0.48
MAP2K4 P45985 1/20 0.48
HNF4A P41235 1/20 0.47

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
SCHEMBL9997986 0.90 PFKFB3 (0.71) PFKFB3ACLYALDH1A1HPGDMEN1
SCHEMBL9997251 0.89 PFKFB3 (0.64) PFKFB3ACLYALDH1A1MEN1KMT2A
SCHEMBL9997213 0.89 PFKFB3 (0.66) PFKFB3ACLYALDH1A1MCL1HSD17B10
SCHEMBL9996882 0.89 PFKFB3 (0.69) PFKFB3ACLYALDH1A1HPGDMEN1
SCHEMBL9996910 0.88 PFKFB3 (0.61) PFKFB3ACLYALDH1A1MCL1HSD17B10
SCHEMBL9997151 0.88 PFKFB3 (0.65) PFKFB3ACLYALDH1A1MEN1KMT2A
SCHEMBL9996957 0.87 ACLY (0.61) PFKFB3ACLYALDH1A1MAPTHPGD
SCHEMBL9997368 0.86 PFKFB3 (0.59) PFKFB3ACLYALDH1A1MCL1HSD17B10
SCHEMBL9997091 0.86 PFKFB3 (0.66) PFKFB3ACLYALDH1A1HPGDMCL1
SCHEMBL9997093 0.86 PFKFB3 (0.78) PFKFB3ACLYALDH1A1MEN1KMT2A

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 5 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
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US 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 1/4885ACLY 61/4885ALDH1A1 1943/4885

“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.