SCHEMBL4426085

SCHEMBL4426085

CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(F)c(F)c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.44
CCKAR P32238 1/20 0.44
ALDH3A1 P30838 1/20 0.40
GRM4 Q14833 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP19 O94966 1/20 0.34

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
SCHEMBL5008567 0.93 GRM4 (0.41) PTGDR2CCKARGRM4ALDH1A1LMNA
SCHEMBL4413582 0.92 GRM4 (0.40) PTGDR2CCKARGRM4ALDH1A1LMNA
SCHEMBL4413576 0.91 GRM4 (0.40) PTGDR2CCKARGRM4ALDH1A1LMNA
SCHEMBL4430813 0.90 KMT2A (0.41) ALDH3A1ALDH1A1LMNAMAPTPKM
SCHEMBL5002780 0.90 TNFSF11 (0.38) PTGDR2HTTNPSR1KMT2AMEN1
SCHEMBL4414362 0.90 HTR6 (0.39) PTGDR2ALDH1A1PKMTSHRHTT
SCHEMBL3903795 0.88 PTGDR2 (0.34) PTGDR2CCKARALDH1A1LMNATP53
SCHEMBL2412876 0.88 PTGDR2 (0.39) PTGDR2CCKARALDH3A1GRM4
SCHEMBL3914395 0.87 NAMPT (0.39) PTGDR2ALDH1A1LMNAPKMTSHR
SCHEMBL2412446 0.87 POLB (0.37) PTGDR2CCKARALDH1A1LMNAMAPT

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 PTGDR2 2285/4885CCKAR 49/4885ALDH3A1 1421/4885

“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.