SCHEMBL787993

SCHEMBL787993

Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)sc2c(Cl)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 10/20 1.00
PFKFB3 Q16875 9/20 0.80
WDR5 P61964 2/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL787754 0.89 PFKFB4 (1.00) PFKFB4PFKFB3POLB
SCHEMBL9997182 0.85 PFKFB4 (0.74) PFKFB4PFKFB3MEN1KMT2AALDH1A1
SCHEMBL788176 0.84 PFKFB4 (1.00) PFKFB4PFKFB3WDR5NPC1ALDH1A1
SCHEMBL788304 0.82 PFKFB3 (0.76) PFKFB4PFKFB3WDR5ALDH1A1
SCHEMBL788108 0.81 PFKFB4 (1.00) PFKFB4PFKFB3
Propane SCHEMBL28642185 0.78 PFKFB4 (0.94) PFKFB4PFKFB3
SCHEMBL788512 0.76 PFKFB3 (0.77) PFKFB4PFKFB3
SCHEMBL787994 0.76 PFKFB3 (0.77) PFKFB4PFKFB3
SCHEMBL787998 0.76 PFKFB3 (0.80) PFKFB4PFKFB3
SCHEMBL21857665 0.76 PFKFB3 (0.74) PFKFB4PFKFB3

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 17 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
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
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 PFKFB4 2/4885PFKFB3 1/4885WDR5 3747/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB4 889/4885PFKFB3 952/4885WDR5 2307/4885

“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.