SCHEMBL9997294

SCHEMBL9997294

COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 15/20 0.74
PFKFB3 Q16875 1/20 0.66
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
BCL2L1 Q07817 1/20 0.56
MCL1 Q07820 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL28216793 0.86 FABP4 (0.78) FABP4
SCHEMBL9997390 0.86 PFKFB3 (0.65) FABP4PFKFB3ALDH1A1HSD17B10BCL2L1
SCHEMBL28860101 0.85 FABP4 (1.00) FABP4
SCHEMBL9997030 0.85 PFKFB3 (0.70) FABP4PFKFB3ALDH1A1HSD17B10BCL2L1
SCHEMBL28652113 0.83 ACLY (0.64) FABP4PFKFB3ALDH1A1HSD17B10MCL1
SCHEMBL9997324 0.82 PFKFB3 (0.70) FABP4PFKFB3ALDH1A1HSD17B10BCL2L1
SCHEMBL9997053 0.82 PFKFB3 (0.70) FABP4PFKFB3ALDH1A1HSD17B10HTT
SCHEMBL14851521 0.80 FABP4 (0.78) FABP4ALDH1A1LMNATSHRHTT
SCHEMBL9996868 0.80 PFKFB3 (1.00) PFKFB3ALDH1A1HSD17B10BCL2L1MCL1
SCHEMBL9997360 0.79 ALDH1A1 (0.59) FABP4PFKFB3ALDH1A1HSD17B10MCL1

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
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

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 FABP4 871/4885PFKFB3 1/4885ALDH1A1 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.