SCHEMBL794222

SCHEMBL794222

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 8/20 0.56
PFKFB4 Q16877 4/20 0.51
LNPEP Q9UIQ6 1/20 0.44
SLC40A1 Q9NP59 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL794362 0.92 PFKFB3 (0.68) PFKFB3PFKFB4LNPEPGAACYP3A4
SCHEMBL793081 0.88 PFKFB4 (0.68) PFKFB3PFKFB4LNPEPCYP3A4CYP2C19
SCHEMBL794260 0.86 PFKFB3 (0.53) PFKFB3LNPEPSLC40A1GAACYP3A4
SCHEMBL793853 0.85 PFKFB3 (0.49) PFKFB3PFKFB4LNPEP
SCHEMBL793284 0.84 ALDH1A1 (0.52) PFKFB3LNPEP
SCHEMBL794311 0.83 PFKFB3 (0.65) PFKFB3PFKFB4LNPEP
SCHEMBL806077 0.83 PFKFB3 (0.67) PFKFB3PFKFB4LNPEPGAAMMP2
SCHEMBL793409 0.82 PFKFB3 (0.55) PFKFB3LNPEPCYP3A4
SCHEMBL793555 0.81 PFKFB3 (0.66) PFKFB3PFKFB4LNPEP
SCHEMBL793332 0.81 PFKFB3 (0.55) PFKFB3PFKFB4LNPEPGAAMMP2

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 14 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
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
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO 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 2/4885LNPEP 3108/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885LNPEP 3375/4885

“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.