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SCHEMBL13724558

SCHEMBL13724558

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.44
▸ PSEN2 P49810 11/20 0.44
▸ APH1B Q8WW43 11/20 0.44
▸ NCSTN Q92542 11/20 0.44
▸ APH1A Q96BI3 11/20 0.44
▸ PSENEN Q9NZ42 11/20 0.44
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ RXFP3 Q9NSD7 3/20 0.41
▸ RXFP4 Q8TDU9 2/20 0.41

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
SCHEMBL13724178 0.98 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16313869 0.98 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724199 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723065 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723161 0.97 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723789 0.96 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723070 0.96 PSMB5 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724437 0.96 CTSB (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724298 0.96 CTSB (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724416 0.96 CTSB (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 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
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 — — WO 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 PSEN1 2393/4885PSEN2 1791/4885APH1B 996/4885

“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.