SCHEMBL788335

SCHEMBL788335

COc1ccc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.66
CTNNB1 P35222 1/20 0.66
PLAU P00749 6/20 0.64
PLAT P00750 1/20 0.64
AKR1C3 P42330 1/20 0.64
ALDH1A1 P00352 1/20 0.63
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP19A1 P11511 1/20 0.59
PFKFB3 Q16875 1/20 0.58
MAPT P10636 1/20 0.58
WDR5 P61964 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL3720429 0.90 TCF4 (0.81) TCF4CTNNB1ALDH1A1POLBMEN1
SCHEMBL7311403 0.86 AKR1C3 (0.85) PLAUAKR1C3ALDH1A1POLBMEN1
SCHEMBL787801 0.85 WDR5 (0.66) TCF4CTNNB1AKR1C3POLBMEN1
SCHEMBL787919 0.85 WDR5 (0.72) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL788215 0.85 AKR1C3 (0.67) TCF4CTNNB1AKR1C3ALDH1A1POLB
SCHEMBL788025 0.83 PFKFB3 (0.77) TCF4CTNNB1PLAUPLATAKR1C3
SCHEMBL6079752 0.82 AKR1C3 (0.70) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL13532190 0.81 MEN1 (0.71) TCF4CTNNB1AKR1C3ALDH1A1MEN1
SCHEMBL3551591 0.80 ALDH1A1 (0.65) TCF4CTNNB1AKR1C3ALDH1A1POLB
SCHEMBL7313388 0.80 PLAU (0.77) TCF4CTNNB1PLAUPLATAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO claimed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 EP 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
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
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 TCF4 1410/4885CTNNB1 4616/4885PLAU 2025/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA TCF4 1649/4885CTNNB1 1252/4885PLAU 3675/4885

“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.