SCHEMBL13723407

SCHEMBL13723407

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](COC(C)(C)C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.45
▸ CTSB P07858 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TLR2 O60603 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL12677569 0.87 MDM4 (0.49) CASP3MDM4TP53KMT2A
SCHEMBL30261589 0.87 CTSB (0.49) CASP3CTSBCTSKPIN1
SCHEMBL30945916 0.85 MDM4 (0.46) CASP3MDM4TP53TLR2
SCHEMBL30887592 0.84 CASP3 (0.49) CASP3CTSBPIN1CTSLCTSS
SCHEMBL31546599 0.83 POLB (0.51) CASP3PIN1KMT2A
SCHEMBL14019298 0.83 POLB (0.51) CASP3PIN1KMT2A
Hydrochloric Acid SCHEMBL30261623 0.83 CASP3 (0.45) CASP3CTSBCTSKMDM4TP53
SCHEMBL29462654 0.82 CASP3 (0.55) CASP3CTSBPIN1MDM4TP53
SCHEMBL28557417 0.82 MDM4 (0.45) CASP3MDM4TP53KMT2A
SCHEMBL28557416 0.82 MDM4 (0.45) CASP3MDM4TP53KMT2A

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 CASP3 2701/4885CTSB 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.

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