SCHEMBL788132

SCHEMBL788132

O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 3/20 0.59
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP11B1 P15538 1/20 0.56
▸ CYP11B2 P19099 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ EDNRA P25101 1/20 0.53
▸ PIK3CB P42338 1/20 0.52
▸ PFKFB4 Q16877 1/20 0.51
▸ GGPS1 O95749 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50

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
SCHEMBL4967002 0.81 PFKFB3 (0.60) PFKFB3KMT2APOLBLMNAMAPT
SCHEMBL787794 0.78 PKM (0.61) PFKFB3KMT2APOLBLMNAHTT
SCHEMBL788401 0.78 EDNRA (0.53) PFKFB3KMT2APOLBMEN1EDNRA
SCHEMBL788078 0.78 EDNRA (0.53) PFKFB3KMT2APOLBCYP11B1CYP11B2
SCHEMBL787796 0.76 CYP1A2 (0.54) PFKFB3KMT2AHTTMEN1EDNRA
SCHEMBL15063697 0.75 PFKFB3 (0.59) PFKFB3KMT2APOLBLMNAHTT
SCHEMBL30267833 0.75 PFKFB3 (0.59) PFKFB3KMT2APOLBLMNAHTT
SCHEMBL788385 0.74 EDNRA (0.52) PFKFB3KMT2APOLBMAPTMEN1
SCHEMBL21857663 0.74 PFKFB3 (1.00) PFKFB3KMT2APOLBPFKFB4
SCHEMBL794101 0.74 PFKFB3 (0.69) PFKFB3KMT2APOLBEDNRAPFKFB4

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — WO claimed
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
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
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 1/4885KMT2A 1147/4885POLB 1101/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PFKFB3 952/4885KMT2A 1232/4885POLB 2562/4885

“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.

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