SCHEMBL9997594

SCHEMBL9997594

O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC25A1 P53007 1/20 0.65
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ DNMT1 P26358 1/20 0.58
▸ DNMT3A Q9Y6K1 1/20 0.58
▸ MCL1 Q07820 1/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ HSPD1 P10809 2/20 0.54
▸ PTPN2 P17706 2/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ PTPN5 P54829 2/20 0.54
▸ HSPE1 P61604 2/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ VCAM1 P19320 1/20 0.52
▸ PFKFB3 Q16875 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52

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
SCHEMBL9997223 0.86 ALDH1A1 (0.63) HPGDHSD17B10MCL1MEN1KMT2A
SCHEMBL9997287 0.85 HSD17B10 (0.67) HPGDHSD17B10MCL1MEN1KMT2A
SCHEMBL5225915 0.81 VCAM1 (0.64) SLC25A1DNMT1DNMT3AHSPD1PTPN2
SCHEMBL6681330 0.81 ALDH1A1 (0.59) SLC25A1HPGDDNMT1DNMT3AMEN1
SCHEMBL24215474 0.80 MEN1 (0.70) SLC25A1DNMT1DNMT3AMEN1KMT2A
SCHEMBL30515749 0.80 MEN1 (0.70) SLC25A1DNMT1DNMT3AMEN1KMT2A
SCHEMBL9996923 0.80 DDX3X (0.59) MCL1MEN1KMT2AHSPD1PTPN2
SCHEMBL9997160 0.80 HSD17B10 (0.70) HPGDHSD17B10MCL1MEN1KMT2A
SCHEMBL9996974 0.80 HSD17B10 (0.62) HPGDHSD17B10MCL1MEN1KMT2A
SCHEMBL9997119 0.80 ALDH1A1 (0.62) HPGDHSD17B10MCL1MEN1KMT2A

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 SLC25A1 84/4885HPGD 980/4885HSD17B10 1255/4885

“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.

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