SCHEMBL4576533

SCHEMBL4576533

CC(C)(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.59
CTSL P07711 5/20 0.59
CTSS P25774 3/20 0.59
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
CTSK P43235 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL13323764 0.93 CTSB (0.58) CTSBCTSLCTSSCTSKCYP3A4
SCHEMBL13863704 0.91 CTSB (0.56) CTSBCTSLCTSSITGB3ITGA2B
SCHEMBL5188996 0.91 CTSB (0.56) CTSBCTSLCTSSITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL4576415 0.90 CTSB (0.57) CTSBCTSLCTSSCTSKCYP3A4
Trifluoroacetic Acid SCHEMBL27715157 0.90 CTSB (0.57) CTSBCTSLCTSSCTSKCYP3A4
SCHEMBL5634418 0.88 GPR132 (0.58) CTSBCTSLCTSSITGB3ITGA2B
SCHEMBL5634425 0.88 GPR132 (0.58) CTSBCTSLCTSSITGB3ITGA2B
SCHEMBL31084239 0.88 GPR132 (0.58) CTSBCTSLCTSSITGB3ITGA2B
SCHEMBL3820572 0.88 ACE (0.53) CTSBCTSLCTSSCTSKCYP3A4
SCHEMBL13323787 0.87 CTSB (0.55) CTSBCTSLCTSSCTSKCYP3A4

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 CTSB 313/4885CTSL 360/4885CTSS 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.