SCHEMBL793702

SCHEMBL793702

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.69
PFKFB4 Q16877 2/20 0.51
PPARG P37231 1/20 0.44
TP53 P04637 2/20 0.43
SLC22A12 Q96S37 5/20 0.43
ALPL P05186 1/20 0.41
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL794171 0.86 PFKFB4 (0.67) PFKFB3PFKFB4PPARGTP53HSD17B1
SCHEMBL21857337 0.82 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL794039 0.78 TP53 (0.54) PFKFB3PFKFB4TP53LMNAMAPT
SCHEMBL793856 0.76 PFKFB3 (0.67) PFKFB3PFKFB4TP53LMNAMAPT
SCHEMBL793555 0.75 PFKFB3 (0.66) PFKFB3PFKFB4TP53LMNAMAPT
SCHEMBL794260 0.75 PFKFB3 (0.53) PFKFB3PPARGLMNAMAPT
SCHEMBL793081 0.75 PFKFB4 (0.68) PFKFB3PFKFB4TP53LMNAMAPT
SCHEMBL794311 0.75 PFKFB3 (0.65) PFKFB3PFKFB4TP53LMNAMAPT
SCHEMBL793857 0.74 PFKFB3 (0.68) PFKFB3PFKFB4
SCHEMBL27943370 0.74 MMP2 (0.59) PFKFB3PFKFB4TP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US claimed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP claimed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 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
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 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 (2 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 1/4885PFKFB4 2/4885PPARG 746/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885PPARG 308/4885

“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.