SCHEMBL4284356

SCHEMBL4284356

CC(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCC[C]=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT5 Q9NXA8 2/20 0.41
GRIA1 P42261 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY4R P50391 6/20 0.37
NPY5R Q15761 6/20 0.37
NPY1R P25929 5/20 0.37
NPY2R P49146 3/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TLR2 O60603 2/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL1521788 0.87 SIRT6 (0.48) SIRT6SIRT1SIRT5MEN1ALDH1A1
SCHEMBL1521539 0.86 NPY4R (0.46) SIRT6SIRT1NPY4RNPY5RNPY1R
SCHEMBL1006420 0.84 SIRT6 (0.47) SIRT6SIRT1SIRT5MEN1ALDH1A1
SCHEMBL13950767 0.82 SIRT6 (0.51) SIRT6SIRT1SIRT5GRIA1MEN1
SCHEMBL1521358 0.81 SIRT6 (0.43) SIRT6SIRT1SIRT5NPY4RNPY5R
SCHEMBL1521162 0.81 NPY4R (0.47) SIRT6SIRT1NPY4RNPY5RNPY1R
SCHEMBL1521603 0.81 SIRT6 (0.43) SIRT6SIRT1SIRT5NPY4RNPY5R
SCHEMBL1521786 0.80 DPP7 (0.49) MEN1ALDH1A1KMT2ANPY4RNPY5R
SCHEMBL1521224 0.80 DPP7 (0.49) MEN1ALDH1A1KMT2ANPY4RNPY5R
SCHEMBL1521341 0.80 NPY4R (0.48) SIRT6SIRT1NPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 US disclosed
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-16 US 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 (2 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-20090099334-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA SIRT6 1480/4885SIRT1 890/4885SIRT5 1288/4885
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA SIRT6 1480/4885SIRT1 890/4885SIRT5 1288/4885

“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.