SCHEMBL794039

SCHEMBL794039

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
PFKFB4 Q16877 3/20 0.53
PFKFB3 Q16875 3/20 0.53
THRB P10828 1/20 0.50
USP2 O75604 1/20 0.50
PRF1 P14222 1/20 0.47
PIK3CB P42338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
BRD4 O60885 1/20 0.43
PIK3CA P42336 1/20 0.42
C1S P09871 1/20 0.42

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
SCHEMBL793856 0.89 PFKFB3 (0.67) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL794171 0.89 PFKFB4 (0.67) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL792878 0.81 PFKFB3 (0.67) PFKFB4PFKFB3BRD4
SCHEMBL793296 0.81 PFKFB4 (0.71) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL21857845 0.80 PFKFB3 (0.80) PFKFB4PFKFB3PIK3CA
SCHEMBL793555 0.80 PFKFB3 (0.66) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL794260 0.80 PFKFB3 (0.53) LMNAMAPTPFKFB3
SCHEMBL794311 0.79 PFKFB3 (0.65) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL27943370 0.78 MMP2 (0.59) TP53LMNAMAPTPFKFB4PFKFB3
SCHEMBL793409 0.78 PFKFB3 (0.55) LMNAPFKFB3THRB

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 10 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
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-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 TP53 109/4885LMNA 1654/4885MAPT 3557/4885

“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.