SCHEMBL794544

SCHEMBL794544

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.59
LNPEP Q9UIQ6 1/20 0.56
PFKFB4 Q16877 1/20 0.50
MAP2K4 P45985 1/20 0.48
PTGES2 Q9H7Z7 6/20 0.48
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL793726 0.94 PFKFB3 (0.67) PFKFB3LNPEPPFKFB4PTGES2MMP2
SCHEMBL793332 0.90 PFKFB3 (0.55) PFKFB3LNPEPPFKFB4MAP2K4MMP2
SCHEMBL806077 0.88 PFKFB3 (0.67) PFKFB3LNPEPPFKFB4MAP2K4MMP2
SCHEMBL793607 0.88 PFKFB4 (0.64) PFKFB3LNPEPPFKFB4MAP2K4MMP2
SCHEMBL792878 0.86 PFKFB3 (0.67) PFKFB3PFKFB4MAP2K4MMP2MMP9
SCHEMBL794341 0.86 PFKFB4 (0.54) PFKFB3PFKFB4MAP2K4MMP2MMP9
SCHEMBL27943370 0.84 MMP2 (0.59) PFKFB3PFKFB4MMP2MMP9MMP8
SCHEMBL793359 0.83 PFKFB3 (0.68) PFKFB3PFKFB4MAP2K4
SCHEMBL793857 0.83 PFKFB3 (0.68) PFKFB3PFKFB4MAP2K4PTGES2
SCHEMBL794063 0.83 PFKFB4 (0.59) PFKFB3LNPEPPFKFB4

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 11 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
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-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 1/4885LNPEP 3108/4885PFKFB4 2/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885LNPEP 3375/4885PFKFB4 889/4885

“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.