SCHEMBL9997673

SCHEMBL9997673

O=C(O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.60
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.59
PFKFB3 Q16875 4/20 0.55
MCL1 Q07820 1/20 0.55
ALDH1A1 P00352 6/20 0.52
TSHR P16473 2/20 0.50
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
CASP6 P55212 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN5 P54829 1/20 0.44
S100A9 P06702 1/20 0.44

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
SCHEMBL9997206 0.85 HSD17B10 (0.66) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9996847 0.85 PFKFB3 (0.56) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9997265 0.85 MCL1 (0.55) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9997160 0.83 HSD17B10 (0.70) HSD17B10HPGDPFKFB3MCL1ALDH1A1
SCHEMBL9997096 0.82 ALDH1A1 (0.69) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9997172 0.81 MCL1 (0.59) HSD17B10HPGDPFKFB3MCL1ALDH1A1
SCHEMBL9996884 0.80 HSD17B10 (0.53) HSD17B10HPGDPFKFB3MCL1ALDH1A1
SCHEMBL7828166 0.78 MCL1 (0.78) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9997287 0.78 HSD17B10 (0.67) ACLYHSD17B10HPGDPFKFB3MCL1
SCHEMBL9996974 0.78 HSD17B10 (0.62) ACLYHSD17B10HPGDPFKFB3MCL1

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 ACLY 61/4885HSD17B10 1255/4885HPGD 980/4885

“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.