SCHEMBL787683

SCHEMBL787683

COC(=O)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 8/20 1.00
PFKFB4 Q16877 8/20 1.00
CMA1 P23946 7/20 0.85
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
HTR1D P28221 2/20 0.55
HTR1B P28222 2/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
ADRA1B P35368 2/20 0.55
DRD3 P35462 2/20 0.55
HTR6 P50406 2/20 0.55
HTR4 Q13639 2/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
HTR2B P41595 1/20 0.55
DRD1 P21728 1/20 0.54

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
SCHEMBL788511 0.90 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL9996951 0.83 PFKFB3 (0.84) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL787869 0.83 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL12204617 0.81 NPSR1 (0.90) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL2912213 0.80 CMA1 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL15480585 0.79 CMA1 (0.77) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL5621758 0.78 PFKFB3 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL8255568 0.78 CMA1 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL2910759 0.78 CMA1 (0.82) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL15055752 0.78 PFKFB3 (0.72) PFKFB3PFKFB4CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP claimed
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
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP 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-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
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 2/4885CMA1 4714/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885CMA1 4142/4885

“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.