Sugi Predict

Sugi Predict / Compounds / SCHEMBL13725837

SCHEMBL13725837

SCHEMBL13725837

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1cccnc1)[C@H](O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N[C@@H](CO)C(=O)O)[C@H](O)C(N)=O)[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 12/20 0.42
▸ PSEN2 P49810 12/20 0.42
▸ APH1B Q8WW43 12/20 0.42
▸ NCSTN Q92542 12/20 0.42
▸ APH1A Q96BI3 12/20 0.42
▸ PSENEN Q9NZ42 12/20 0.42
▸ GLP1R P43220 2/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ VIPR1 P32241 2/20 0.40
▸ VIPR2 P41587 1/20 0.40

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
SCHEMBL16358187 0.96 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722575 0.95 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723783 0.93 GLP1R (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723065 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724199 0.93 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723068 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724550 0.92 GLP1R (0.42) GLP1RECE1MUS81VIPR1VIPR2
SCHEMBL13323743 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16313869 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13724178 0.91 PSEN1 (0.45) 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 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 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.