SCHEMBL806077

SCHEMBL806077

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 9/20 0.67
PFKFB4 Q16877 1/20 0.51
LNPEP Q9UIQ6 1/20 0.47
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.43
PGR P06401 2/20 0.43
CYP19A1 P11511 1/20 0.42
MAP2K4 P45985 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL793332 0.91 PFKFB3 (0.55) PFKFB3PFKFB4LNPEPMMP2MMP9
SCHEMBL793607 0.89 PFKFB4 (0.64) PFKFB3PFKFB4LNPEPMMP2MMP9
SCHEMBL794544 0.88 PFKFB3 (0.59) PFKFB3PFKFB4LNPEPMMP2MMP9
SCHEMBL27943370 0.85 MMP2 (0.59) PFKFB3PFKFB4MMP2MMP9MMP8
SCHEMBL794341 0.84 PFKFB4 (0.54) PFKFB3PFKFB4MMP2MMP9MMP8
SCHEMBL792878 0.84 PFKFB3 (0.67) PFKFB3PFKFB4MMP2MMP9MMP8
SCHEMBL794222 0.83 PFKFB3 (0.56) PFKFB3PFKFB4LNPEPMMP2MMP9
SCHEMBL793857 0.82 PFKFB3 (0.68) PFKFB3PFKFB4MAP2K4SYK
SCHEMBL793359 0.82 PFKFB3 (0.68) PFKFB3PFKFB4PGRCYP19A1MAP2K4
SCHEMBL793726 0.81 PFKFB3 (0.67) PFKFB3PFKFB4LNPEPMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US claimed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 US claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN 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
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 (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-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.