Sugi Predict

Sugi Predict / Compounds / SCHEMBL9997138

SCHEMBL9997138

SCHEMBL9997138

O=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3)c2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 4/20 0.62
▸ MCL1 Q07820 2/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSD17B1 P14061 2/20 0.50
▸ HSD17B2 P37059 2/20 0.50
▸ BCL2L1 Q07817 1/20 0.50
▸ ACLY P53396 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TSHR P16473 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
SCHEMBL9996923 0.88 DDX3X (0.59) PFKFB3MCL1KMT2AKDM4EMAPT
SCHEMBL9997986 0.88 PFKFB3 (0.71) PFKFB3MCL1KMT2AKDM4EACLY
SCHEMBL9996882 0.87 PFKFB3 (0.69) PFKFB3MCL1KMT2AACLYALDH1A1
SCHEMBL9997151 0.86 PFKFB3 (0.65) PFKFB3MCL1KMT2AACLYALDH1A1
SCHEMBL9997091 0.84 PFKFB3 (0.66) PFKFB3MCL1ACLYALDH1A1TSHR
SCHEMBL9997093 0.84 PFKFB3 (0.78) PFKFB3MCL1KMT2AACLYALDH1A1
SCHEMBL9997213 0.84 PFKFB3 (0.66) PFKFB3MCL1HSD17B2ACLYALDH1A1
SCHEMBL9997235 0.84 PFKFB3 (0.63) PFKFB3MCL1KMT2AACLYALDH1A1
SCHEMBL19281302 0.83 PFKFB3 (0.64) PFKFB3MCL1KMT2AKDM4EALDH1A1
SCHEMBL9997021 0.83 PFKFB3 (0.64) PFKFB3MCL1KMT2AKDM4EALDH1A1

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 6 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
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 1/4885MCL1 1411/4885KMT2A 1147/4885

“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.