SCHEMBL9997222

SCHEMBL9997222

O=C(O)c1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.62
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
CASP6 P55212 2/20 0.61
PKM P14618 1/20 0.58
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 3/20 0.55
PFKFB3 Q16875 4/20 0.54
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
PTPN5 P54829 1/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9997224 0.88 ALDH1A1 (0.62) MCL1MEN1KMT2ACASP6ALDH1A1
SCHEMBL9997703 0.87 ALDH1A1 (0.67) MCL1MEN1KMT2ACASP6ALDH1A1
SCHEMBL9997075 0.86 MCL1 (0.68) MCL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6673893 0.85 TSHR (0.60) MCL1MEN1KMT2ACASP6PKM
SCHEMBL19281339 0.83 LMNA (0.64) MCL1MEN1KMT2APKMALDH1A1
SCHEMBL9997090 0.83 HSD17B2 (0.68) MCL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL9997330 0.82 MCL1 (0.70) MCL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL7828166 0.81 MCL1 (0.78) MCL1MEN1KMT2ACASP6PKM
SCHEMBL9997019 0.81 ALDH1A1 (0.70) MCL1MEN1KMT2APKMALDH1A1
SCHEMBL9997287 0.81 HSD17B10 (0.67) MCL1MEN1KMT2AALDH1A1HSD17B10

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 1411/4885MEN1 3253/4885KMT2A 1147/4885

“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.