SCHEMBL4576576

SCHEMBL4576576

COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
CAPN1 P07384 1/20 0.50
AAK1 Q2M2I8 1/20 0.48
REN P00797 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BIRC2 Q13490 1/20 0.44
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL18762521 0.95 CTSL (0.53) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL18762523 0.95 CTSL (0.53) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1176795 0.92 CTSL (0.62) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1026997 0.92 CTSL (0.62) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1026994 0.92 CTSL (0.62) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL4097410 0.90 CTSS (0.46) CTSLCTSBCTSSCTSKCA1
SCHEMBL17640586 0.89 CTSL (0.56) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL3826120 0.88 CTSK (0.55) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL3820601 0.88 CTSS (0.61) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL2632711 0.88 CTSL (0.58) CTSLCTSBCTSSCTSKCAPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC CTSL 360/4885CTSB 313/4885CTSS 339/4885

“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.