Sugi Predict

Sugi Predict / Compounds / SCHEMBL794171

SCHEMBL794171

SCHEMBL794171

O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Br)cc1F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PFKFB4 Q16877 1/20 0.67
▸ PFKFB3 Q16875 4/20 0.51
▸ TP53 P04637 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JAK1 P23458 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38

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
SCHEMBL794039 0.89 TP53 (0.54) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL793702 0.86 PFKFB3 (0.69) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL21857743 0.80 PFKFB4 (1.00) PFKFB4PFKFB3
SCHEMBL793856 0.80 PFKFB3 (0.67) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL794260 0.78 PFKFB3 (0.53) PFKFB3LMNAMAPTPPARGRAB9A
SCHEMBL793555 0.78 PFKFB3 (0.66) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL794311 0.77 PFKFB3 (0.65) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL27943370 0.77 MMP2 (0.59) PFKFB4PFKFB3TP53LMNAMAPT
SCHEMBL793409 0.76 PFKFB3 (0.55) PFKFB3LMNATHRBMEN1KMT2A
SCHEMBL794692 0.76 PFKFB3 (0.57) PFKFB4PFKFB3

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
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US 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 PFKFB4 2/4885PFKFB3 1/4885TP53 2372/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB4 889/4885PFKFB3 952/4885TP53 109/4885

“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.