SCHEMBL4569678

SCHEMBL4569678

CN(Cc1cc(Br)n(S(=O)(=O)c2cccc(F)c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LIMK2 P53671 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HTR6 P50406 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL1156547 0.88 HTR6 (0.45) PKMTSHRALDH1A1HPGDHTR6
SCHEMBL4930746 0.88 CA12 (0.38) PTGDR2KMT2AMEN1PKMTSHR
SCHEMBL1156168 0.87 KMT2A (0.46) PTGDR2LIMK2KMT2AMEN1ALDH1A1
SCHEMBL1156158 0.87 LIMK2 (0.42) PTGDR2LIMK2KMT2AMEN1ALDH1A1
SCHEMBL2416549 0.86 RIPK1 (0.39) PTGDRPTGDR2KMT2AMEN1PKM
SCHEMBL4999257 0.85 CHRM5 (0.50) LIMK2PKMALDH1A1HTR6TAS2R14
SCHEMBL4569737 0.84 PTGDR (0.42) PTGDRPTGDR2LIMK2KMT2AMEN1
SCHEMBL1156024 0.81 MAPT (0.46) LIMK2KMT2AMEN1PKMTSHR
SCHEMBL1157224 0.81 NAMPT (0.43) PTGDR2KMT2ATSHRALDH1A1HTR6
SCHEMBL4414362 0.81 HTR6 (0.39) PTGDRPTGDR2LIMK2KMT2AMEN1

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 PTGDR 1617/4885PTGDR2 2285/4885LIMK2 4772/4885

“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.