SCHEMBL349826

SCHEMBL349826

CC(N)(NC(=O)CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.36
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
GGT1 P19440 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL1270706 0.83 NAALAD2 (0.38) CYP1A2CYP3A4RECQLNAALAD2GGT1
SCHEMBL18843220 0.76 CYP1A2 (0.41) CYP1A2CYP3A4RECQLMAPK1NAALAD2
SCHEMBL1687263 0.75
SCHEMBL28098099 0.75 TSHR (0.38) NAALAD2GGT1TSHRALDH1A1KDM4C
SCHEMBL28098101 0.75 TSHR (0.38) NAALAD2GGT1TSHRALDH1A1KDM4C
SCHEMBL2235123 0.73 ALDH1A1 (0.36) CYP1A2CYP3A4MAPK1NAALAD2GGT1
Hydrochloric Acid SCHEMBL10648828 0.73 MAPK1 (0.44) CYP1A2CYP3A4RECQLMAPK1KDM4E
SCHEMBL27735475 0.72 CYP1A2 (0.39) CYP1A2CYP3A4RECQLMAPK1
SCHEMBL27735477 0.72 CYP1A2 (0.39) CYP1A2CYP3A4RECQLMAPK1
SCHEMBL22617691 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
EP-1577323-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-10 EP 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-20090318365-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090298765-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US 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 CYP1A2 4794/4885CYP3A4 4493/4885RECQL 4678/4885
US-20090318365-A1 METASTIN DERIVATIVES AND USE THEREOF MET, HGF, HGFAC CYP1A2 4775/4885CYP3A4 4385/4885RECQL 4661/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 CYP1A2 4601/4885CYP3A4 4495/4885RECQL 4480/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF CYP1A2 4794/4885CYP3A4 4493/4885RECQL 4678/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 CYP1A2 4601/4885CYP3A4 4495/4885RECQL 4480/4885

“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.