SCHEMBL4086617

SCHEMBL4086617

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.35
PTH1R Q03431 2/20 0.34
KEAP1 Q14145 1/20 0.33
OPRL1 P41146 3/20 0.33

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
SCHEMBL13724845 0.89 PTH1R (0.38) PTH1ROPRL1
SCHEMBL14404788 0.85 PRMT1 (0.40) RXFP1PTH1ROPRL1
SCHEMBL13723956 0.85 PRMT1 (0.40) RXFP1PTH1ROPRL1
SCHEMBL14404950 0.84 PRMT1 (0.39) RXFP1PTH1ROPRL1
SCHEMBL2367841 0.84 PRMT1 (0.39) RXFP1PTH1ROPRL1
SCHEMBL2367849 0.84 PRMT1 (0.39) RXFP1PTH1ROPRL1
SCHEMBL16318368 0.84 PRMT1 (0.38) PTH1R
SCHEMBL4094614 0.83 OPRM1 (0.34) KEAP1OPRL1
SCHEMBL4092095 0.83 OPRM1 (0.34) KEAP1OPRL1
SCHEMBL14404798 0.83 RXFP4 (0.40) RXFP1PTH1ROPRL1

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 RXFP1 355/4885PTH1R 290/4885KEAP1 2850/4885

“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.