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Sugi Predict / Compounds / SCHEMBL4099714

SCHEMBL4099714

SCHEMBL4099714

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(N)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](COC(=O)C(F)(F)F)C(=O)O)[C@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ KRAS P01116 3/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ KISS1R Q969F8 1/20 0.37

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
SCHEMBL4255374 0.91 REN (0.41) RENCTSBCTSKKRASKEAP1
SCHEMBL4087936 0.88 KRAS (0.41) RENCTSBCTSKKRASKEAP1
SCHEMBL4088520 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13722790 0.86 KISS1R (0.40) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL16510322 0.86 KISS1R (0.40) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL4092691 0.85 KRAS (0.42) RENCTSBCTSKKRASKEAP1
SCHEMBL2367276 0.85 NPY4R (0.43) RENCTSBCTSKKRASKEAP1
SCHEMBL4088444 0.85 KISS1R (0.47) KRASKISS1R
SCHEMBL4092747 0.85 KRAS (0.42) KRASKEAP1
SCHEMBL16510330 0.85 PSEN1 (0.41) CTSBCTSKPSEN1PSEN2APH1B

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 REN 1728/4885CTSB 236/4885CTSK 1058/4885

“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.