SCHEMBL4422173

SCHEMBL4422173

CN(Cc1cn(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
KEAP1 Q14145 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
FFAR1 O14842 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
PTGES O14684 2/20 0.38
AR P10275 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL2411207 0.90 HTR6 (0.39) HTR6NPSR1KEAP1MMP8MMP3
SCHEMBL2409474 0.89 HTR6 (0.36) HTR6MMP8MMP13
SCHEMBL2411210 0.88 HTR6 (0.38) HTR6KEAP1L3MBTL1MMP8MMP3
SCHEMBL4566561 0.85 HTR6 (0.40) HTR6KEAP1MMP8MMP3FFAR1
SCHEMBL5002797 0.84 HTR6 (0.40) HTR6KEAP1MMP8MMP3FFAR1
SCHEMBL2194090 0.83 PTGDR2 (0.33) HTR6MMP8MMP13PTGS2
SCHEMBL5002713 0.83 RXFP1 (0.35) HTR6NPSR1
SCHEMBL5008443 0.83 GAA (0.33) HTR6NPSR1
SCHEMBL2413180 0.82 HTR6 (0.37) HTR6KEAP1
SCHEMBL5005965 0.82 MET (0.44) HTR6MMP8MMP13

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 5 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-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 HTR6 2370/4885NPSR1 297/4885KEAP1 2316/4885

“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.