SCHEMBL4411401

SCHEMBL4411401

CN(Cc1cn(S(=O)(=O)c2cccc(C#N)c2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
PPME1 Q9Y570 3/20 0.35
APLNR P35414 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
NR1H3 Q13133 1/20 0.34
KCNA5 P22460 2/20 0.34
NR3C1 P04150 1/20 0.34
GLO1 Q04760 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
GAA P10253 1/20 0.34
RORC P51449 2/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL4563370 0.93 HTR6 (0.37) HTR6PPME1PTGDR2NR1H3KCNA5
SCHEMBL4998704 0.93 HTR6 (0.39) HTR6PPME1PTGDR2NR1H3KCNA5
SCHEMBL2410115 0.89 RORC (0.38) HTR6PPME1APLNRNR1H3NR3C1
SCHEMBL5008217 0.89 HTR6 (0.38) HTR6PTGDR2
SCHEMBL2410118 0.88 PPME1 (0.35) HTR6PPME1APLNRPTGDR2NR1H3
SCHEMBL5003157 0.88 MET (0.41) HTR6PTGDR2GAA
SCHEMBL5002713 0.86 RXFP1 (0.35) HTR6PTGDR2GAA
SCHEMBL5008443 0.86 GAA (0.33) HTR6PTGDR2GAA
SCHEMBL4418226 0.86 HTR6 (0.35) HTR6PTGDR2
SCHEMBL5005965 0.85 MET (0.44) HTR6

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 2370/4885PPME1 1233/4885APLNR 1418/4885

“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.