SCHEMBL787801

SCHEMBL787801

CCCOc1ccc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.66
AKR1C3 P42330 1/20 0.58
NR1H4 Q96RI1 5/20 0.57
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
KAT6A Q92794 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
PFKFB3 Q16875 1/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
FABP4 P15090 1/20 0.53
TCF4 P15884 1/20 0.51
CTNNB1 P35222 1/20 0.51

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
SCHEMBL787919 0.96 WDR5 (0.72) WDR5AKR1C3NR1H4KMT2APOLB
SCHEMBL788335 0.85 TCF4 (0.66) WDR5AKR1C3KMT2APOLBPFKFB3
SCHEMBL7311403 0.81 AKR1C3 (0.85) AKR1C3KMT2APOLBPFKFB3MEN1
SCHEMBL788215 0.80 AKR1C3 (0.67) WDR5AKR1C3KMT2APOLBPFKFB3
SCHEMBL3554315 0.79 WDR5 (0.64) WDR5NR1H4KMT2APOLBKAT6A
SCHEMBL6079752 0.78 AKR1C3 (0.70) AKR1C3KMT2APOLBPFKFB3MEN1
SCHEMBL3720429 0.78 TCF4 (0.81) WDR5KMT2APOLBPFKFB3MEN1
SCHEMBL14878118 0.76 F2 (0.65) KMT2AKAT6AMEN1MAPT
SCHEMBL8100780 0.76 WDR5 (0.60) WDR5NR1H4KMT2APOLBKAT6A
SCHEMBL8100775 0.76 WDR5 (0.60) WDR5NR1H4KMT2APOLBKAT6A

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 10 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
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
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 3747/4885AKR1C3 628/4885NR1H4 4344/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA WDR5 2307/4885AKR1C3 1115/4885NR1H4 2076/4885

“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.