SCHEMBL9997265

SCHEMBL9997265

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.55
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.50
S100A9 P06702 1/20 0.50
PFKFB3 Q16875 4/20 0.49
CASP6 P55212 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B2 P37059 1/20 0.46
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
BCL2L1 Q07817 1/20 0.44
ACLY P53396 1/20 0.43

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
SCHEMBL9997673 0.85 ACLY (0.60) MCL1ALDH1A1HSD17B10HPGDS100A9
SCHEMBL9996847 0.85 PFKFB3 (0.56) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9997075 0.83 MCL1 (0.68) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9997090 0.82 HSD17B2 (0.68) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9997172 0.81 MCL1 (0.59) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9996884 0.80 HSD17B10 (0.53) MCL1ALDH1A1HSD17B10HPGDS100A9
SCHEMBL7828166 0.78 MCL1 (0.78) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9997222 0.78 MCL1 (0.62) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL9996664 0.77 MCL1 (0.52) MCL1ALDH1A1HSD17B10HPGDPFKFB3
SCHEMBL28805077 0.77 IL1RN (0.55) ALDH1A1S100A9MEN1KMT2APOLB

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 MCL1 1411/4885ALDH1A1 1943/4885HSD17B10 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.