SCHEMBL787817

SCHEMBL787817

O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.54
▸ PFKFB3 Q16875 3/20 0.52
▸ PFKFB4 Q16877 2/20 0.52
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PSEN1 P49768 1/20 0.46
▸ PSEN2 P49810 1/20 0.46
▸ APH1B Q8WW43 1/20 0.46
▸ NCSTN Q92542 1/20 0.46
▸ APH1A Q96BI3 1/20 0.46
▸ PSENEN Q9NZ42 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ SYK P43405 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL788401 0.86 EDNRA (0.53) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL787978 0.82 PFKFB3 (0.59) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL788034 0.80 PFKFB3 (0.63) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL788078 0.79 EDNRA (0.53) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL787540 0.78 PFKFB3 (0.58) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL788016 0.77 PFKFB3 (0.57) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL788371 0.76 KMT2A (0.60) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL787796 0.76 CYP1A2 (0.54) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL15063697 0.74 PFKFB3 (0.59) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6
SCHEMBL30267833 0.74 PFKFB3 (0.59) EDNRAPFKFB3PFKFB4CYP3A4CYP2D6

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 EDNRA 3888/4885PFKFB3 1/4885PFKFB4 2/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA EDNRA 2685/4885PFKFB3 952/4885PFKFB4 889/4885

“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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