Sugi Predict

Sugi Predict / Compounds / SCHEMBL13722307

SCHEMBL13722307

SCHEMBL13722307

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCN(C(=N)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](CC(C)(C)C)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)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 12/20 0.41
▸ PSEN2 P49810 12/20 0.41
▸ APH1B Q8WW43 12/20 0.41
▸ NCSTN Q92542 12/20 0.41
▸ APH1A Q96BI3 12/20 0.41
▸ PSENEN Q9NZ42 12/20 0.41
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL16510330 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16510322 0.93 KISS1R (0.40) CTSBCTSK
SCHEMBL13722790 0.93 KISS1R (0.40) CTSBCTSK
SCHEMBL4088520 0.92 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722801 0.91 VIPR1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722918 0.90 KISS1R (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722487 0.89 VIPR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13723789 0.88 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2367506 0.88 KISS1R (0.45) CTSBCTSK
SCHEMBL13722793 0.86 OPRM1 (0.43) 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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 — — 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.