SCHEMBL794311

SCHEMBL794311

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.65
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51
CDK6 Q00534 1/20 0.51
LNPEP Q9UIQ6 1/20 0.47
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PGR P06401 1/20 0.43
PFKFB4 Q16877 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL792880 0.91 PFKFB3 (0.54) PFKFB3CDK1CCNB1CCNA2CCND1
SCHEMBL793550 0.90 MAPT (0.56) PFKFB3CDK1CCNB1CCNA2CDK2
SCHEMBL794260 0.88 PFKFB3 (0.53) PFKFB3LNPEPLMNAMAPTMEN1
SCHEMBL793284 0.88 ALDH1A1 (0.52) PFKFB3LNPEPMAPTMEN1KMT2A
SCHEMBL793409 0.87 PFKFB3 (0.55) PFKFB3LNPEPLMNATHRBPGR
SCHEMBL793856 0.86 PFKFB3 (0.67) PFKFB3LNPEPLMNATP53MAPT
SCHEMBL793555 0.86 PFKFB3 (0.66) PFKFB3LNPEPLMNATP53MAPT
SCHEMBL793762 0.85 PFKFB3 (0.47) PFKFB3LNPEPLMNATP53MAPT
SCHEMBL794222 0.83 PFKFB3 (0.56) PFKFB3LNPEPPFKFB4
SCHEMBL793853 0.83 PFKFB3 (0.49) PFKFB3LNPEPLMNATP53MAPT

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 PFKFB3 952/4885CDK1 573/4885CCNB1 349/4885

“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.