Sugi Predict

Sugi Predict / Compounds / SCHEMBL4088520

SCHEMBL4088520

SCHEMBL4088520

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](Cc1cccc(NC(=O)OC(C)(C)C)c1)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1)C(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 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 7/20 0.40
▸ PSEN2 P49810 7/20 0.40
▸ APH1B Q8WW43 7/20 0.40
▸ NCSTN Q92542 7/20 0.40
▸ APH1A Q96BI3 7/20 0.40
▸ PSENEN Q9NZ42 7/20 0.40
▸ KISS1R Q969F8 2/20 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 0.92 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722307 0.92 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4259164 0.91 KISS1R (0.44) KISS1R
SCHEMBL16510322 0.90 KISS1R (0.40) KISS1R
SCHEMBL13722790 0.90 KISS1R (0.40) KISS1R
SCHEMBL4099714 0.87 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2367506 0.87 KISS1R (0.45) KISS1R
SCHEMBL13722793 0.86 OPRM1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4092747 0.86 KRAS (0.42) —
SCHEMBL4088444 0.84 KISS1R (0.47) KISS1R

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.