SCHEMBL21695192

SCHEMBL21695192

CNC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.47
OPRM1 P35372 4/20 0.47
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
ACE P12821 2/20 0.44
NMUR2 Q9GZQ4 4/20 0.44
NMUR1 Q9HB89 4/20 0.44
AKT1 P31749 2/20 0.43
LMNA P02545 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
SCHEMBL31656330 0.81 OPRD1 (0.61) OPRD1OPRM1NMUR2NMUR1
SCHEMBL12122107 0.77 TSG101 (0.54)
SCHEMBL29377612 0.76 DPP4 (0.43) OPRD1OPRM1ITGB1ITGA4ACE
SCHEMBL14599754 0.76 MMP3 (0.58) OPRD1OPRM1MMP1MMP3NMUR2
SCHEMBL5551658 0.76 MMP3 (0.58) OPRD1OPRM1MMP1MMP3NMUR2
SCHEMBL23710235 0.75 NMUR2 (0.44) OPRD1OPRM1NMUR2NMUR1
SCHEMBL31511428 0.74 OPRD1 (0.58) OPRD1OPRM1NMUR2NMUR1
SCHEMBL20306231 0.74 XIAP (0.51) OPRD1OPRM1ACENMUR2NMUR1
SCHEMBL6852479 0.73 NMUR2 (0.54) OPRD1OPRM1NMUR2NMUR1
SCHEMBL18270523 0.72 OPRM1 (0.52) OPRD1OPRM1NMUR2NMUR1

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-10556014-B2 Compounds containing a vascular disrupting agent ELLIPSES PHARMA LIMITED (GB) 2020-02-11 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-10556014-B2 Compounds containing a vascular disrupting agent MMP10, MMP11, MMP3 OPRD1 4568/4885OPRM1 4736/4885ITGB1 2839/4885

“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.