SCHEMBL4563370

SCHEMBL4563370

CN(Cc1cn(S(=O)(=O)c2cccc(C#N)c2)c(-c2cccnc2C#N)c1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
PPME1 Q9Y570 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
KCNA5 P22460 2/20 0.33
NR3C1 P04150 1/20 0.33
NR1H3 Q13133 1/20 0.33
TNFSF11 O14788 1/20 0.33
KAT6A Q92794 1/20 0.33
GLO1 Q04760 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
RORC P51449 2/20 0.33
SCN9A Q15858 1/20 0.33
KLKB1 P03952 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
SCHEMBL4411401 0.93 HTR6 (0.38) HTR6PPME1PTGDR2KCNA5NR3C1
SCHEMBL4418226 0.93 HTR6 (0.35) HTR6PTGDR2TNFSF11
SCHEMBL5002827 0.92 HTR6 (0.36) HTR6PTGDR2TNFSF11
SCHEMBL4998704 0.91 HTR6 (0.39) HTR6PPME1PTGDR2KCNA5NR3C1
SCHEMBL4999300 0.90 MET (0.41) HTR6PTGDR2
SCHEMBL2411862 0.89 RORC (0.36) HTR6PPME1PTGDR2NR3C1NR1H3
SCHEMBL4998756 0.88 HTR6 (0.34) HTR6PTGDR2TNFSF11
SCHEMBL2412057 0.88 PPME1 (0.34) HTR6PPME1PTGDR2KCNA5NR3C1
SCHEMBL1580530 0.85 GLO1 (0.38) HTR6PPME1NR3C1KAT6AGLO1
Hydrochloric Acid SCHEMBL2409926 0.84 NR3C1 (0.37) HTR6PPME1NR3C1KAT6AGLO1

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 1233/4885PTGDR2 2285/4885

“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.