SCHEMBL2409997

SCHEMBL2409997

O=Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.38
NPC1 O15118 1/20 0.34
KLK7 P49862 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR6 P50406 3/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HSD17B10 Q99714 1/20 0.32
FABP1 P07148 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL1156963 0.88 HTR6 (0.37) NFE2L2KLK7HTR6HTR1ADRD3
SCHEMBL1278538 0.86 MET (0.40) HTR6MET
SCHEMBL25199084 0.83 ALDH3A1 (0.39) NFE2L2KDM4EHTR6
SCHEMBL31019963 0.83 ALDH3A1 (0.39) NFE2L2KDM4EHTR6
SCHEMBL25194047 0.81 PKM (0.44) NFE2L2KDM4EMET
SCHEMBL31019965 0.81 PKM (0.44) NFE2L2KDM4EMET
SCHEMBL1278609 0.80 NFE2L2 (0.40) NFE2L2NPC1KDM4EHTR6
SCHEMBL2407576 0.80 PKM (0.32)
SCHEMBL2410519 0.80 HTT (0.39) NPC1KLK7KDM4EHTR6
SCHEMBL2411295 0.79 MET (0.47) HTR6MET

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 NFE2L2 4155/4885NPC1 219/4885KLK7 1716/4885

“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.