SCHEMBL793857

SCHEMBL793857

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.68
ERAP1 Q9NZ08 2/20 0.54
KIF11 P52732 1/20 0.53
PFKFB4 Q16877 2/20 0.51
PTGES2 Q9H7Z7 1/20 0.50
MAP2K4 P45985 2/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.44
SYK P43405 1/20 0.44
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43

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
SCHEMBL792878 0.88 PFKFB3 (0.67) PFKFB3PFKFB4MAP2K4
SCHEMBL793607 0.88 PFKFB4 (0.64) PFKFB3PFKFB4MAP2K4KMT2AMEN1
SCHEMBL794341 0.86 PFKFB4 (0.54) PFKFB3PFKFB4MAP2K4RAB9A
SCHEMBL793332 0.86 PFKFB3 (0.55) PFKFB3PFKFB4MAP2K4
SCHEMBL793359 0.83 PFKFB3 (0.68) PFKFB3PFKFB4MAP2K4TSHR
SCHEMBL794544 0.83 PFKFB3 (0.59) PFKFB3PFKFB4PTGES2MAP2K4
SCHEMBL794304 0.82 PFKFB3 (0.63) PFKFB3PFKFB4KMT2AMEN1
SCHEMBL27943370 0.82 MMP2 (0.59) PFKFB3ERAP1PFKFB4KMT2AMEN1
SCHEMBL806077 0.82 PFKFB3 (0.67) PFKFB3PFKFB4MAP2K4SYK
SCHEMBL21857394 0.81 PFKFB3 (1.00) PFKFB3ERAP1PFKFB4

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-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
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 1/4885ERAP1 2857/4885KIF11 2014/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885ERAP1 3625/4885KIF11 4363/4885

“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.