SCHEMBL367485

SCHEMBL367485

Cc1ccc(C(N[C@@H](CCCN)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.48
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TLR2 O60603 1/20 0.37

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
SCHEMBL22634192 1.00 KIF11 (0.48) KIF11MMP2MMP9KEAP1NFE2L2
SCHEMBL367484 1.00 KIF11 (0.48) KIF11MMP2MMP9KEAP1NFE2L2
SCHEMBL1268928 0.96 KIF11 (0.47) KIF11MMP2MMP9TLR2
SCHEMBL29422004 0.88 MMP2 (0.52) KIF11MMP2MMP9TLR2
SCHEMBL7593135 0.84 MMP9 (0.47) MMP2MMP9TLR2
SCHEMBL17274480 0.83 KIF11 (0.50) KIF11MMP2MMP9TLR2
SCHEMBL7603846 0.83 KIF11 (0.50) KIF11MMP2MMP9TLR2
SCHEMBL6137134 0.81 KIF11 (0.47) KIF11
SCHEMBL6137131 0.81 KIF11 (0.47) KIF11
SCHEMBL25184422 0.81 MMP2 (0.44) KIF11MMP2MMP9TLR2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210998-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-2314609-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
EP-2081955-B1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
EP-1577323-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-10 EP disclosed
US-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-16 US disclosed
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-09 US disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1963362-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-2007072997-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP 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 (5 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF KIF11 2744/4885MMP2 169/4885MMP9 184/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 KIF11 2267/4885MMP2 295/4885MMP9 150/4885
US-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KIF11 2285/4885MMP2 255/4885MMP9 200/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF KIF11 2744/4885MMP2 169/4885MMP9 184/4885
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KIF11 2285/4885MMP2 255/4885MMP9 200/4885

“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.