SCHEMBL793433

SCHEMBL793433

COc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 1/20 0.67
CYP19A1 P11511 1/20 0.60
PFKFB3 Q16875 2/20 0.59
BRD4 O60885 1/20 0.54
TP53 P04637 1/20 0.52
TCF4 P15884 1/20 0.51
CTNNB1 P35222 1/20 0.51
AKT1 P31749 1/20 0.49
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
PLAU P00749 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL793359 0.94 PFKFB3 (0.68) PFKFB4CYP19A1PFKFB3BRD4TP53
SCHEMBL794304 0.89 PFKFB3 (0.63) PFKFB4PFKFB3ALDH1A1LMNAHPGD
SCHEMBL27943370 0.84 MMP2 (0.59) PFKFB4PFKFB3TP53ALDH1A1LMNA
SCHEMBL793726 0.83 PFKFB3 (0.67) PFKFB4CYP19A1PFKFB3TP53MAPT
SCHEMBL794341 0.81 PFKFB4 (0.54) PFKFB4PFKFB3TP53
SCHEMBL794177 0.81 CA12 (0.50) PFKFB4PFKFB3TP53PIK3CAPLAU
SCHEMBL793299 0.81 PFKFB3 (0.65) PFKFB4PFKFB3PLAULMNAPKM
SCHEMBL793607 0.81 PFKFB4 (0.64) PFKFB4PFKFB3ALDH1A1LMNAHPGD
SCHEMBL19770585 0.81 HDAC4 (0.50) PFKFB4PFKFB3ALDH1A1LMNAPKM
SCHEMBL21857084 0.80 PFKFB4 (1.00) PFKFB4CYP19A1PFKFB3

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
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
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US 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

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 PFKFB4 2/4885CYP19A1 3074/4885PFKFB3 1/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB4 889/4885CYP19A1 606/4885PFKFB3 952/4885

“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.