SCHEMBL794304

SCHEMBL794304

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.63
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
PFKFB4 Q16877 2/20 0.53
POLB P06746 1/20 0.50
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADRB2 P07550 1/20 0.47
MAPT P10636 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
UQCRB P14927 2/20 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
SCHEMBL27943370 0.95 MMP2 (0.59) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL793607 0.91 PFKFB4 (0.64) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL793433 0.89 PFKFB4 (0.67) PFKFB3PFKFB4ALDH1A1HPGDHTT
SCHEMBL793726 0.89 PFKFB3 (0.67) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL793299 0.87 PFKFB3 (0.65) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL792878 0.85 PFKFB3 (0.67) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL794341 0.85 PFKFB4 (0.54) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL793332 0.85 PFKFB3 (0.55) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL28639683 0.84 PFKFB3 (0.49) PFKFB3MMP2MMP9MMP8MMP13
SCHEMBL19770602 0.84 PFKFB3 (0.47) PFKFB3MMP2MMP9MMP8MMP13

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 PFKFB3 1/4885MMP2 2324/4885MMP9 2439/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885MMP2 4304/4885MMP9 3336/4885

“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.