SCHEMBL31249459

SCHEMBL31249459

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.48
▸ CXCR4 P61073 4/20 0.45
▸ NMUR2 Q9GZQ4 4/20 0.45
▸ NMUR1 Q9HB89 4/20 0.45
▸ RAMP3 O60896 6/20 0.44
▸ CALCR P30988 6/20 0.44
▸ MC4R P32245 1/20 0.42
▸ CTSL P07711 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSH P09668 1/20 0.42
▸ KLK7 P49862 1/20 0.42

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
SCHEMBL29963046 0.93 CXCR4 (0.47) NAA50CXCR4NMUR2NMUR1RAMP3
SCHEMBL30937368 0.87 RAMP3 (0.44) NAA50CXCR4NMUR2NMUR1RAMP3
SCHEMBL31303212 0.87 CXCR4 (0.50) CXCR4NMUR2NMUR1RAMP3CALCR
SCHEMBL29788350 0.85 NMUR2 (0.49) CXCR4NMUR2NMUR1RAMP3CALCR
SCHEMBL30518019 0.85 NMUR2 (0.51) NAA50CXCR4NMUR2NMUR1RAMP3
SCHEMBL30518008 0.85 NMUR2 (0.51) NAA50CXCR4NMUR2NMUR1RAMP3
SCHEMBL30518138 0.85 NMUR2 (0.51) NAA50CXCR4NMUR2NMUR1RAMP3
SCHEMBL31481586 0.85 OPRK1 (0.47) NMUR2NMUR1
SCHEMBL29564535 0.84 CXCR4 (0.40) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL9616909 0.84 OPRK1 (0.43) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152182-B2 Polymer nanoparticles for afterglow molecular imaging NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-11-26 — — 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-12152182-B2 Polymer nanoparticles for afterglow molecular imaging CD68, ALG1, MB NAA50 3414/4885CXCR4 3758/4885NMUR2 1188/4885

“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.

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