SCHEMBL787919

SCHEMBL787919

CCCCOc1ccc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.72
NR1H4 Q96RI1 6/20 0.59
AKR1C3 P42330 1/20 0.58
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
PFKFB3 Q16875 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
FABP1 P07148 1/20 0.52

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
SCHEMBL787801 0.96 WDR5 (0.66) WDR5NR1H4AKR1C3POLBTDP1
SCHEMBL788335 0.85 TCF4 (0.66) WDR5AKR1C3POLBPFKFB3MEN1
SCHEMBL3554315 0.83 WDR5 (0.64) WDR5NR1H4POLBTDP1MEN1
SCHEMBL7311403 0.81 AKR1C3 (0.85) AKR1C3POLBPFKFB3MEN1KMT2A
SCHEMBL8100775 0.80 WDR5 (0.60) WDR5NR1H4POLBTDP1MEN1
SCHEMBL8100780 0.80 WDR5 (0.60) WDR5NR1H4POLBTDP1MEN1
SCHEMBL788215 0.80 AKR1C3 (0.67) WDR5AKR1C3POLBPFKFB3MEN1
SCHEMBL3554243 0.78 MEN1 (0.60) WDR5NR1H4POLBTDP1MEN1
SCHEMBL3550679 0.78 WDR5 (0.57) WDR5NR1H4POLBTDP1MEN1
SCHEMBL6079752 0.78 AKR1C3 (0.70) AKR1C3POLBPFKFB3MEN1KMT2A

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 WDR5 3747/4885NR1H4 4344/4885AKR1C3 628/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA WDR5 2307/4885NR1H4 2076/4885AKR1C3 1115/4885

“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.