SCHEMBL9997173

SCHEMBL9997173

O=C(NCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)s1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.54
KMT2A Q03164 5/20 0.50
PKM P14618 2/20 0.50
PFKFB3 Q16875 7/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL15079960 0.90 CCKBR (0.51) CCKBRKMT2APKMPFKFB3MCL1
SCHEMBL12334602 0.82 CCKBR (0.52) CCKBRKMT2APKMALDH1A1MEN1
SCHEMBL12334072 0.81 CCKBR (0.60) CCKBRKMT2APKMALDH1A1MEN1
SCHEMBL9997236 0.81 ALDH1A1 (0.58) KMT2APFKFB3MCL1ALDH1A1HSD17B10
SCHEMBL12334073 0.80 CCKBR (0.49) CCKBRKMT2APKMMCL1MEN1
SCHEMBL15059734 0.80 CCKBR (0.54) CCKBRKMT2APKMPFKFB3MCL1
SCHEMBL8013271 0.79 CCKBR (0.49) CCKBRKMT2APFKFB3ALDH1A1MEN1
SCHEMBL12334053 0.77 NR1H3 (0.54) CCKBRKMT2APKMMEN1TDP1
SCHEMBL28652477 0.77 PFKFB3 (0.47) KMT2APKMPFKFB3MCL1ALDH1A1
SCHEMBL9996955 0.77 PFKFB3 (0.57) KMT2APFKFB3MCL1ALDH1A1HSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP claimed
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 CCKBR 4292/4885KMT2A 1147/4885PKM 29/4885

“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.