SCHEMBL793359

SCHEMBL793359

COc1ccc(-c2cccc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 3/20 0.68
PFKFB4 Q16877 2/20 0.59
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CYP19A1 P11511 1/20 0.51
PLAU P00749 5/20 0.50
MAP2K4 P45985 1/20 0.48
BRD4 O60885 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PGR P06401 1/20 0.46
AKT1 P31749 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL793433 0.94 PFKFB4 (0.67) PFKFB3PFKFB4ALDH1A1MAPTLMNA
SCHEMBL794341 0.88 PFKFB4 (0.54) PFKFB3PFKFB4MAP2K4PGRTP53
SCHEMBL793607 0.88 PFKFB4 (0.64) PFKFB3PFKFB4ALDH1A1LMNAHTT
SCHEMBL792878 0.86 PFKFB3 (0.67) PFKFB3PFKFB4MAP2K4BRD4
SCHEMBL793332 0.86 PFKFB3 (0.55) PFKFB3PFKFB4CYP19A1MAP2K4PGR
SCHEMBL793857 0.83 PFKFB3 (0.68) PFKFB3PFKFB4MAP2K4TSHR
SCHEMBL794544 0.83 PFKFB3 (0.59) PFKFB3PFKFB4MAP2K4
SCHEMBL794304 0.82 PFKFB3 (0.63) PFKFB3PFKFB4ALDH1A1MAPTLMNA
SCHEMBL27943370 0.82 MMP2 (0.59) PFKFB3PFKFB4ALDH1A1MAPTLMNA
SCHEMBL806077 0.82 PFKFB3 (0.67) PFKFB3PFKFB4CYP19A1MAP2K4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885ALDH1A1 1943/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885PFKFB4 889/4885ALDH1A1 390/4885

“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.