SCHEMBL2199163

SCHEMBL2199163

COc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)c(F)c2-c2cccnc2F)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
MTNR1B P49286 8/20 0.35
MTNR1A P48039 8/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HIF1A Q16665 1/20 0.34
GRM4 Q14833 1/20 0.34
NFE2L2 Q16236 2/20 0.33
HTR6 P50406 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL2197215 0.89 GRM4 (0.32) HIF1AGRM4
SCHEMBL2191654 0.88 GSK3B (0.38) GSK3BMTNR1BMTNR1AMMP2MMP9
SCHEMBL2407109 0.86 IDE (0.34) HIF1AGRM4
SCHEMBL5008557 0.85 MTNR1A (0.36) GSK3BMTNR1BMTNR1ANFE2L2
SCHEMBL5005967 0.85 MET (0.43) GSK3BMTNR1BMTNR1ANFE2L2HTR6
SCHEMBL2199160 0.85 MMP9 (0.37) GSK3BMMP2MMP9MMP8MMP13
SCHEMBL1837519 0.84 GSK3B (0.37) GSK3BMMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL1833777 0.84 GSK3B (0.36) GSK3BMMP2MMP9MMP8MMP13
SCHEMBL2409083 0.83 NAMPT (0.38) MMP2MMP9MMP8MMP13PTGDR2
SCHEMBL2194308 0.83 MMP9 (0.37) GSK3BMMP2MMP9MMP8MMP13

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885MTNR1B 649/4885MTNR1A 1055/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885MTNR1B 649/4885MTNR1A 1055/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GSK3B 4585/4885MTNR1B 649/4885MTNR1A 1055/4885

“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.