SCHEMBL9997751

SCHEMBL9997751

NC(=O)c1cccc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)O)c(O)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.64
MCL1 Q07820 1/20 0.54
ACLY P53396 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
AKR1C3 P42330 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATIC P31939 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
POLB P06746 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
SCHEMBL9997251 0.92 PFKFB3 (0.64) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9997986 0.88 PFKFB3 (0.71) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL16393859 0.88 PLAU (0.52) PFKFB3ACLYALDH1A1PTGES2ATIC
SCHEMBL9996926 0.86 PFKFB3 (0.66) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9996789 0.86 PFKFB3 (0.69) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9996882 0.85 PFKFB3 (0.69) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9996891 0.85 PFKFB3 (0.67) PFKFB3MCL1ACLYALDH1A1HSD17B10
SCHEMBL9997198 0.84 AKR1C3 (0.66) PFKFB3MCL1ALDH1A1HSD17B10AKR1C3
SCHEMBL9997220 0.84 PFKFB3 (0.80) PFKFB3MCL1ALDH1A1HSD17B10MEN1
SCHEMBL9998019 0.84 PFKFB3 (0.66) PFKFB3MCL1ALDH1A1HSD17B10MEN1

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.