SCHEMBL4099180

SCHEMBL4099180

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.38
ENPEP Q07075 7/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 1/20 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
SCHEMBL4099169 1.00 TERT (0.38) TERTENPEPOPRM1OPRD1OPRK1
SCHEMBL4089483 0.92 OPRM1 (0.42) TERTENPEPOPRM1OPRD1OPRK1
SCHEMBL4089476 0.92 OPRM1 (0.42) TERTENPEPOPRM1OPRD1OPRK1
SCHEMBL4094331 0.91 TERT (0.42) TERTENPEPOPRM1OPRD1OPRK1
SCHEMBL4094324 0.91 TERT (0.42) TERTENPEPOPRM1OPRD1OPRK1
SCHEMBL4088244 0.84 TERT (0.42) TERTENPEPOPRM1OPRD1
SCHEMBL4088242 0.84 TERT (0.42) TERTENPEPOPRM1OPRD1
SCHEMBL29822670 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL30638784 0.84 ENPEP (0.40) TERTENPEP
SCHEMBL29825003 0.84 ENPEP (0.40) TERTENPEP

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 TERT 3633/4885ENPEP 61/4885OPRM1 1981/4885

“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.