SCHEMBL4569682

SCHEMBL4569682

O=C(O)NCCc1cc(Br)n(S(=O)(=O)c2cccc(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
IDE P14735 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
HTR6 P50406 4/20 0.37
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL1156550 0.88 GAA (0.44) IDEKMT2AALDH1A1MEN1HTR6
SCHEMBL1156170 0.87 CA12 (0.42) PTGDR2KMT2AMEN1HTR6TAAR1
SCHEMBL4930756 0.87 NQO2 (0.41) KMT2AALDH1A1MEN1TP53CNR1
SCHEMBL1156161 0.87 HTR6 (0.43) PTGDR2KMT2AALDH1A1MEN1HTR6
SCHEMBL4999263 0.84 AKR1C3 (0.44) ALDH1A1HTR6TP53
SCHEMBL1156026 0.81 MEN1 (0.46) KMT2AALDH1A1MEN1LMNAPKM
SCHEMBL1157226 0.81 ALDH1A1 (0.49) IDEKMT2AALDH1A1MEN1TSHR
SCHEMBL5005945 0.80 IDE (0.39) PTGDRPTGDR2IDEKMT2AALDH1A1
SCHEMBL4569736 0.78 PTGDR (0.40) PTGDRPTGDR2IDEKMT2AALDH1A1
SCHEMBL1156243 0.78 PPARG (0.48) KMT2AALDH1A1MEN1LMNA

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 2285/4885IDE 1224/4885

“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.