SCHEMBL2199160

SCHEMBL2199160

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.37
MMP2 P08253 4/20 0.37
MMP8 P22894 3/20 0.37
MMP13 P45452 3/20 0.37
GSK3B P49841 1/20 0.35
NFE2L2 Q16236 5/20 0.34
HTR6 P50406 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRM4 Q14833 1/20 0.33
KEAP1 Q14145 3/20 0.33
KAT8 Q9H7Z6 1/20 0.32
MAPK1 P28482 1/20 0.31
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 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
SCHEMBL2197207 0.89 DHODH (0.32) GRM4
SCHEMBL1835212 0.89 MMP2 (0.35) MMP9MMP2MMP8MMP13GSK3B
SCHEMBL2191647 0.88 MMP2 (0.35) MMP9MMP2MMP8MMP13GSK3B
SCHEMBL1835214 0.88 MMP2 (0.35) MMP9MMP2MMP8MMP13GSK3B
SCHEMBL2407107 0.86 DHODH (0.33) HTR6PTGDR2
SCHEMBL2199163 0.85 GSK3B (0.38) MMP9MMP2MMP8MMP13GSK3B
SCHEMBL5005965 0.84 MET (0.44) MMP9MMP2MMP8MMP13NFE2L2
SCHEMBL5008551 0.84 NFE2L2 (0.34) MMP9MMP2MMP8MMP13NFE2L2
SCHEMBL1837519 0.84 GSK3B (0.37) MMP9MMP2MMP8MMP13GSK3B
Hydrochloric Acid SCHEMBL1833777 0.83 GSK3B (0.36) MMP9MMP2MMP8MMP13GSK3B

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 8 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
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO 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 MMP9 3837/4885MMP2 4146/4885MMP8 4519/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S MMP9 3837/4885MMP2 4146/4885MMP8 4519/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S MMP9 3837/4885MMP2 4146/4885MMP8 4519/4885

“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.