SCHEMBL349828

SCHEMBL349828

NCC(=O)CC(N)(N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.40
GLRA1 P23415 1/20 0.38
SLC6A9 P48067 1/20 0.38
OR51E2 Q9H255 1/20 0.38
ODC1 P11926 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7205338 0.79 GABRR1 (0.35) GABRR1GLRA1SLC6A9OR51E2
SCHEMBL7389222 0.77 TDP1 (0.43) KDM4EALDH1A1
SCHEMBL8498757 0.77 TSHR (0.36)
SCHEMBL6233401 0.75 GABRR1 (0.48) GABRR1OR51E2KDM4EALDH1A1
SCHEMBL468400 0.75 ALDH1A1 (0.48) GLRA1SLC6A9OR51E2KDM4EALDH1A1
SCHEMBL681315 0.72 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL10924168 0.72 ODC1 (0.53) GABRR1GLRA1SLC6A9OR51E2ODC1
SCHEMBL11097504 0.72 ODC1 (0.53) GABRR1GLRA1SLC6A9OR51E2ODC1
SCHEMBL11097500 0.72 ODC1 (0.53) GABRR1GLRA1SLC6A9OR51E2ODC1
SCHEMBL31603922 0.71

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 42 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-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
CN-102333520-B Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2013-11-06 CN 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
CN-101528772-B Metastin derivatives and uses thereof TAKEDA PHARMACEUTICAL 2013-03-13 CN disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-09 US disclosed
CN-101341168-A Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-07 CN 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 (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-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 GABRR1 1995/4885GLRA1 4303/4885SLC6A9 3468/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF GABRR1 3064/4885GLRA1 4642/4885SLC6A9 3815/4885
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA GABRR1 1552/4885GLRA1 3856/4885SLC6A9 1415/4885

“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.