SCHEMBL4089476

SCHEMBL4089476

CCC(C)C(N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
TERT O14746 1/20 0.41
OPRK1 P41145 1/20 0.41
PRMT1 Q99873 1/20 0.36
ENPEP Q07075 9/20 0.36

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
SCHEMBL4089483 1.00 OPRM1 (0.42) OPRM1OPRD1TERTOPRK1PRMT1
SCHEMBL4094324 0.94 TERT (0.42) OPRM1OPRD1TERTOPRK1PRMT1
SCHEMBL4094331 0.94 TERT (0.42) OPRM1OPRD1TERTOPRK1PRMT1
SCHEMBL4099180 0.92 TERT (0.38) OPRM1OPRD1TERTOPRK1ENPEP
SCHEMBL4099169 0.92 TERT (0.38) OPRM1OPRD1TERTOPRK1ENPEP
SCHEMBL4088244 0.92 TERT (0.42) OPRM1OPRD1TERTENPEP
SCHEMBL4088242 0.92 TERT (0.42) OPRM1OPRD1TERTENPEP
SCHEMBL4088251 0.91 TERT (0.46) OPRM1OPRD1TERTOPRK1ENPEP
SCHEMBL4088259 0.91 TERT (0.46) OPRM1OPRD1TERTOPRK1ENPEP
SCHEMBL4094111 0.90 ENPEP (0.42) ENPEP

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST OPRM1 1981/4885OPRD1 2570/4885TERT 3633/4885

“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.