SCHEMBL787878

SCHEMBL787878

COC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3nc(C)oc3C)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.65
CTNNB1 P35222 2/20 0.65
MAPT P10636 2/20 0.57
HSPD1 P10809 2/20 0.53
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
HSPE1 P61604 2/20 0.53
PLAU P00749 4/20 0.52
PLAT P00750 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PFKFB3 Q16875 3/20 0.47
PFKFB4 Q16877 3/20 0.47
NPC1 O15118 1/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL31253926 0.79 TCF4 (1.00) TCF4CTNNB1MAPTPOLBLMNA
SCHEMBL16116948 0.79 TCF4 (1.00) TCF4CTNNB1MAPTPOLBLMNA
SCHEMBL14896438 0.77 TCF4 (0.80) TCF4CTNNB1MAPTPLAUPLAT
SCHEMBL8369354 0.77 TCF4 (0.80) TCF4CTNNB1PLAUPOLBLMNA
SCHEMBL16116951 0.76 TCF4 (1.00) TCF4CTNNB1MAPTPLAUPLAT
SCHEMBL6981654 0.76 TCF4 (0.78) TCF4CTNNB1MAPTPLAUPOLB
SCHEMBL16116946 0.74 TCF4 (0.74) TCF4CTNNB1MAPTPLAUPOLB
SCHEMBL7313388 0.74 PLAU (0.77) TCF4CTNNB1MAPTPLAUPLAT
SCHEMBL2896310 0.73 TCF4 (0.73) TCF4CTNNB1MAPTPLAUPLAT
SCHEMBL787876 0.73 MAPT (1.00) TCF4CTNNB1MAPTPOLBLMNA

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 4616/4885MAPT 845/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA TCF4 1649/4885CTNNB1 1252/4885MAPT 3557/4885

“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.