SCHEMBL2409474

SCHEMBL2409474

CN(Cc1cn(S(=O)(=O)c2ccc(O)cc2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.36
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
PDK1 Q15118 1/20 0.33
TNFSF11 O14788 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
ESR1 P03372 1/20 0.32
CCKAR P32238 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PKM P14618 1/20 0.32
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH3A1 P30838 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL2194090 0.89 PTGDR2 (0.33) HTR6MMP2MMP9MMP8MMP13
SCHEMBL4422173 0.89 HTR6 (0.42) HTR6MMP8MMP13
SCHEMBL2413180 0.88 HTR6 (0.37) HTR6
SCHEMBL2409441 0.87 HTR2C (0.35) HTR6MMP2MMP9MMP8MMP13
SCHEMBL5008217 0.87 HTR6 (0.38) HTR6PTGDR2
SCHEMBL2409445 0.86 ESR1 (0.39) HTR6MMP2MMP9MMP8MMP13
SCHEMBL5003157 0.86 MET (0.41) HTR6TNFSF11PTGDR2CCKARHDAC1
SCHEMBL5008195 0.86 HTR6 (0.30) HTR6MMP2MMP9MMP8MMP13
SCHEMBL5002600 0.86 SLC6A9 (0.37) HTR6PTGDR2
SCHEMBL5005955 0.86 IDE (0.33) HTR6MMP2MMP9MMP8MMP13

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 4 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-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 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

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 2370/4885MMP2 1804/4885MMP9 1450/4885

“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.