SCHEMBL1521749

SCHEMBL1521749

CC(=O)NCC(=O)NCC(=O)NC[C]=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
F2 P00734 1/20 0.31
PAOX Q6QHF9 2/20 0.30
RECQL P46063 1/20 0.30
PSMB5 P28074 2/20 0.30
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30

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
SCHEMBL1521342 0.98 KDM4E (0.37) KDM4EMAPK1HIF1ATSHRNPSR1
SCHEMBL583001 0.82 CA1 (0.35) RECQLPSMB5
SCHEMBL7746727 0.82 PSMB5 (0.44) RECQLPSMB5
SCHEMBL4734222 0.80 TSHR (0.31) TSHR
SCHEMBL16485913 0.80 TSHR (0.31) TSHR
SCHEMBL583508 0.80 TERT (0.37)
SCHEMBL8605864 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL293653 0.80
SCHEMBL583505 0.78 MCL1 (0.38) PSMB5
SCHEMBL12661037 0.78 KDM4E (0.40) KDM4EMAPK1HIF1ATSHRNPSR1

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 16 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
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-7786083-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
WO-2010076896-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-08 WO 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-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 US disclosed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO 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-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA KDM4E 4035/4885MAPK1 3059/4885HIF1A 2197/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 KDM4E 3215/4885MAPK1 2420/4885HIF1A 1660/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 KDM4E 4599/4885MAPK1 2623/4885HIF1A 785/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA KDM4E 4035/4885MAPK1 3059/4885HIF1A 2197/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 KDM4E 3215/4885MAPK1 2420/4885HIF1A 1660/4885

“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.