SCHEMBL349653

SCHEMBL349653

CCCCOC(=O)NC(Cc1ccccc1)C(N)=S

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
CTSK P43235 4/20 0.50
CTSL P07711 4/20 0.49
CTSS P25774 3/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
CTSB P07858 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7288116 0.90 ACE (0.54) ACEACE2CTSKCTSLCTSS
SCHEMBL7288109 0.90 ACE (0.54) ACEACE2CTSKCTSLCTSS
SCHEMBL2185240 0.87 ITGB3 (0.58) ACEACE2CTSKCTSLCTSS
SCHEMBL844471 0.87 ITGB3 (0.58) ACEACE2CTSKCTSLCTSS
SCHEMBL7758997 0.87 ITGB3 (0.58) ACEACE2CTSKCTSLCTSS
SCHEMBL3652453 0.86 POLB (0.62) ACEACE2CTSKPOLBALDH1A1
SCHEMBL4385669 0.86 POLB (0.62) ACEACE2CTSKPOLBALDH1A1
SCHEMBL7361995 0.86 ACE (0.55) ACEACE2CTSKCTSLCTSS
SCHEMBL4362550 0.85 CTSK (0.54) ACEACE2CTSKCTSLCTSS
SCHEMBL4362555 0.85 CTSK (0.54) ACEACE2CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP 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

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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF ACE 578/4885ACE2 576/4885CTSK 513/4885
US-20090318365-A1 METASTIN DERIVATIVES AND USE THEREOF MET, HGF, HGFAC ACE 589/4885ACE2 614/4885CTSK 498/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF ACE 578/4885ACE2 576/4885CTSK 513/4885

“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.