SCHEMBL5002808

SCHEMBL5002808

CN(Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2Cl)c1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SLC6A9 P48067 1/20 0.34
HTT P42858 2/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL5008475 0.93 HTR6 (0.38) HTR6PTGDR2SMN1; SMN2IDE
SCHEMBL2413180 0.92 HTR6 (0.37) HTR6SLC6A9NAMPTKDM4EKEAP1
SCHEMBL5002833 0.89 NFE2L2 (0.38) HTR6NFE2L2PTGDR2IDE
SCHEMBL2410573 0.88 GPBAR1 (0.34) HTR6GPBAR1SLC6A9HTTKAT5
SCHEMBL5005875 0.88 HTR6 (0.35) HTR6GPBAR1NAMPTKDM4ETAS2R14
SCHEMBL2408863 0.87 GPBAR1 (0.33) HTR6GPBAR1SLC6A9HTTKAT5
SCHEMBL4998756 0.87 HTR6 (0.34) HTR6SLC6A9KAT5KAT8NAMPT
SCHEMBL5002706 0.85 MET (0.42) HTR6KAT8NFE2L2TAS2R14
SCHEMBL4998704 0.85 HTR6 (0.39) HTR6PTGDR2
SCHEMBL2193022 0.84 PTGDR2 (0.35) HTR6SLC6A9NAMPTPTGDR2

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 3 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
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

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 HTR6 2370/4885GPBAR1 167/4885SLC6A9 141/4885

“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.