SCHEMBL6511115

SCHEMBL6511115

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.51
MMP1 P03956 2/20 0.51
MMP2 P08253 3/20 0.45
NMUR2 Q9GZQ4 2/20 0.40
NMUR1 Q9HB89 2/20 0.40
CTSL P07711 2/20 0.40
OPRM1 P35372 5/20 0.40
OPRK1 P41145 4/20 0.40
FKBP4 Q02790 1/20 0.39
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL6511120 0.88 MMP3 (0.50) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL6510374 0.87 MMP3 (0.61) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL6510714 0.81 MMP3 (0.54) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL6510720 0.81 MMP3 (0.54) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL5551701 0.80 MMP3 (0.62) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL14599788 0.80 MMP3 (0.62) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL6514048 0.79 MMP3 (0.56) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL5551709 0.78 MMP3 (0.59) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL5552164 0.77 MMP3 (0.52) MMP3MMP1MMP2NMUR2NMUR1
SCHEMBL6511394 0.77 MMP3 (0.55) MMP3MMP1MMP2NMUR2NMUR1

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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 MMP3 7/4885MMP1 1/4885MMP2 11/4885

“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.