SCHEMBL16181239

SCHEMBL16181239

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
FURIN P09958 10/20 0.50
PCSK6 P29122 1/20 0.47
SIRT5 Q9NXA8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TFPI P10646 1/20 0.42
PRSS1 P07477 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPY4R P50391 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL16181285 0.95 SIRT6 (0.49) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL19558265 0.88 FURIN (0.55) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL15896438 0.88 FURIN (0.55) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL30097932 0.87 SIRT5 (0.47) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL20439451 0.86 SIRT6 (0.46) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL20439438 0.85 TLR2 (0.48) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL16189767 0.85 TLR2 (0.48) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL10051176 0.84 TFPI (0.52) FURINPCSK6SIRT5RXFP1TFPI
SCHEMBL15985694 0.84 TFPI (0.51) SIRT6SIRT1FURINPCSK6SIRT5
SCHEMBL20435368 0.84 SIRT6 (0.55) SIRT6SIRT1FURINPCSK6SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865865-B2 N-terminally modified tetrapeptide derivatives having a C-terminal arginine mimetic PHILIPPS-UNIVERSITAT MARBURG (DE) 2014-10-21 US disclosed
US-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-12-22 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 (1 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-20110312873-A1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC FURIN, IAPP, APP SIRT6 453/4885SIRT1 241/4885FURIN 1/4885

“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.