SCHEMBL787938

SCHEMBL787938

O=C(O)c1cccc(NS(=O)(=O)c2cc(-c3cc(F)ccc3F)c(Cl)s2)c1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 3/20 0.71
PFKFB4 Q16877 1/20 0.48
ACLY P53396 7/20 0.44
CCR2 P41597 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL788576 0.83 PFKFB3 (1.00) PFKFB3PFKFB4ACLYCCR2PTGES2
SCHEMBL9997036 0.81 PFKFB3 (0.59) PFKFB3ACLYALDH1A1HSD17B10
SCHEMBL788265 0.79 PFKFB3 (0.69) PFKFB3PFKFB4ACLYCCR2PTGES2
SCHEMBL9997180 0.77 PTK2B (0.51) PFKFB3PFKFB4ACLYCCR2ALDH1A1
SCHEMBL19281334 0.74 PFKFB3 (0.52) PFKFB3PFKFB4ACLYPTGES2
SCHEMBL15055805 0.73 PFKFB3 (0.60) PFKFB3ACLYALDH1A1HSD17B10
SCHEMBL793764 0.73 ALDH1A1 (0.45) PFKFB3ALDH1A1
SCHEMBL793187 0.73 PFKFB3 (0.39) PFKFB3ALDH1A1
SCHEMBL788309 0.73 PFKFB3 (0.61) PFKFB3PFKFB4ACLYALDH1A1PTGES2
SCHEMBL19281333 0.73 PFKFB3 (0.51) PFKFB3PFKFB4ACLYCCR2PTGES2

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 PFKFB3 1/4885PFKFB4 2/4885ACLY 61/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885ACLY 572/4885

“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.