SCHEMBL794101

SCHEMBL794101

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2cnco2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.69
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
EDNRA P25101 1/20 0.46
GHSR Q92847 2/20 0.45
GAA P10253 1/20 0.45
PFKFB4 Q16877 2/20 0.44
CCR9 P51686 4/20 0.43
PRF1 P14222 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 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
SCHEMBL794304 0.84 PFKFB3 (0.63) PFKFB3POLBKMT2APFKFB4MMP2
SCHEMBL793214 0.82 PFKFB3 (0.71) PFKFB3EDNRAGHSRPFKFB4
SCHEMBL21857663 0.82 PFKFB3 (1.00) PFKFB3POLBKMT2APFKFB4LNPEP
SCHEMBL27943370 0.81 MMP2 (0.59) PFKFB3KMT2AGAAPFKFB4MMP2
SCHEMBL793433 0.78 PFKFB4 (0.67) PFKFB3PFKFB4
SCHEMBL793726 0.78 PFKFB3 (0.67) PFKFB3POLBGAAPFKFB4MMP2
SCHEMBL28639683 0.76 PFKFB3 (0.49) PFKFB3POLBKMT2AGAAPFKFB4
SCHEMBL793299 0.76 PFKFB3 (0.65) PFKFB3KMT2AGHSRPFKFB4MMP2
SCHEMBL19770585 0.76 HDAC4 (0.50) PFKFB3POLBKMT2ACYP3A4GAA
SCHEMBL793607 0.76 PFKFB4 (0.64) PFKFB3KMT2APFKFB4MMP2MMP9

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-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 WO claimed
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

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 952/4885POLB 2562/4885KMT2A 1232/4885

“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.