SCHEMBL31249422

SCHEMBL31249422

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ NTSR2 O95665 5/20 0.49
▸ NTSR1 P30989 5/20 0.49
▸ SORT1 Q99523 4/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ APLNR P35414 1/20 0.48
▸ OPRK1 P41145 5/20 0.48
▸ REN P00797 1/20 0.48
▸ OPRD1 P41143 1/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ ACE P12821 1/20 0.47

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
SCHEMBL29608298 0.91 MAPK8 (0.52) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30272472 0.89 APLNR (0.57) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30689267 0.87 OPRK1 (0.59) NMUR2NMUR1OPRK1OPRM1
SCHEMBL30285008 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL32679555 0.85 MAPK8 (0.50) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31384592 0.85 NPY4R (0.60) OPRK1OPRM1
SCHEMBL31384595 0.85 NPY4R (0.60) OPRK1OPRM1
SCHEMBL29607740 0.85 MAPK8 (0.54) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL18176610 0.84 OPRK1 (0.63) NMUR2NMUR1OPRK1OPRM1
SCHEMBL30498506 0.83 EPHA2 (0.58) NTSR2NTSR1SORT1NMUR2NMUR1

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 MAPK8 4657/4885MAPK9 3080/4885MAPK10 2449/4885

“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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