SCHEMBL9997198

SCHEMBL9997198

O=C(O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.66
PFKFB3 Q16875 4/20 0.63
MCL1 Q07820 1/20 0.62
HSD17B10 Q99714 3/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.57
GFER P55789 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSPD1 P10809 1/20 0.56
HSPE1 P61604 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL9996957 0.91 ACLY (0.61) AKR1C3PFKFB3MCL1HSD17B10MAPT
SCHEMBL9997775 0.89 PFKFB3 (0.57) AKR1C3PFKFB3MCL1HSD17B10MEN1
SCHEMBL9997041 0.89 AKR1C3 (0.59) AKR1C3PFKFB3MCL1HSD17B10MAPT
SCHEMBL9997059 0.88 PFKFB3 (0.64) AKR1C3PFKFB3MCL1HSD17B10MEN1
SCHEMBL7828166 0.87 MCL1 (0.78) PFKFB3MCL1HSD17B10MEN1KMT2A
SCHEMBL9997137 0.85 PFKFB3 (0.75) PFKFB3MCL1HSD17B10MAPTMEN1
SCHEMBL9997986 0.85 PFKFB3 (0.71) PFKFB3MCL1HSD17B10MEN1KMT2A
SCHEMBL9997090 0.85 HSD17B2 (0.68) PFKFB3MCL1HSD17B10MEN1KMT2A
SCHEMBL9997289 0.85 PFKFB3 (0.61) PFKFB3MCL1HSD17B10MAPTMEN1
SCHEMBL9997096 0.85 ALDH1A1 (0.69) PFKFB3MCL1HSD17B10MAPTTSHR

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 AKR1C3 628/4885PFKFB3 1/4885MCL1 1411/4885

“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.