SCHEMBL2408571

SCHEMBL2408571

O=Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.34
ERN1 O75460 2/20 0.34
FGFR4 P22455 1/20 0.34
SLC40A1 Q9NP59 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FEN1 P39748 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
UBE2N P61088 1/20 0.32
HTT P42858 2/20 0.32
RORC P51449 1/20 0.31
GLO1 Q04760 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL2410557 0.89 KDM4E (0.35) NAPRTERN1FGFR4SLC40A1KDM4E
SCHEMBL1278358 0.89 HTT (0.34) NAPRTERN1FGFR4SLC40A1KDM4E
SCHEMBL4419516 0.88 KDM4E (0.34) NAPRTERN1FGFR4SLC40A1KDM4E
SCHEMBL1278270 0.88 CHRNB2 (0.37) NAPRTERN1KDM4EPSEN1PSEN2
SCHEMBL4419513 0.87 KDM4E (0.34) NAPRTERN1FGFR4SLC40A1KDM4E
SCHEMBL1278761 0.86 KDM4E (0.38) NAPRTFGFR4KDM4EPSEN1PSEN2
SCHEMBL1278495 0.83 SMN1; SMN2 (0.40) NAPRTERN1KDM4EUBE2NCYP17A1
SCHEMBL12508072 0.81 ERN1 (0.36) ERN1KDM4EMAOAMAOBUBE2N
SCHEMBL28801289 0.80 FEN1 (0.35) NAPRTFGFR4SLC40A1KDM4EFEN1
SCHEMBL1580807 0.79 FGFR4 (0.35) NAPRTFGFR4SLC40A1PSEN1PSEN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 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 (1 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A NAPRT 2617/4885ERN1 1707/4885FGFR4 1124/4885

“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.