SCHEMBL9997251

SCHEMBL9997251

NC(=O)c1ccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.64
MCL1 Q07820 1/20 0.53
ACLY P53396 5/20 0.50
PTGES2 Q9H7Z7 1/20 0.48
POLB P06746 1/20 0.48
MAP2K7 O14733 1/20 0.48
MAP2K4 P45985 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
HNF4A P41235 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9997751 0.92 PFKFB3 (0.64) PFKFB3MCL1ACLYPTGES2POLB
SCHEMBL9997986 0.90 PFKFB3 (0.71) PFKFB3MCL1ACLYPOLBALDH1A1
SCHEMBL9997306 0.89 PFKFB3 (0.64) PFKFB3MCL1ACLYPOLBMAP2K7
SCHEMBL9996882 0.89 PFKFB3 (0.69) PFKFB3MCL1ACLYPOLBALDH1A1
SCHEMBL15056266 0.88 PFKFB3 (0.51) PFKFB3ACLYPTGES2MAP2K7MAP2K4
SCHEMBL9997091 0.86 PFKFB3 (0.66) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9997213 0.86 PFKFB3 (0.66) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9997093 0.86 PFKFB3 (0.78) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9996910 0.86 PFKFB3 (0.61) PFKFB3MCL1ACLYPOLBALDH1A1
SCHEMBL9997151 0.85 PFKFB3 (0.65) PFKFB3MCL1ACLYPOLBALDH1A1

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 PFKFB3 1/4885MCL1 1411/4885ACLY 61/4885

“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.