SCHEMBL4575892

SCHEMBL4575892

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.65
CTSB P07858 5/20 0.65
CTSS P25774 4/20 0.65
CTSK P43235 8/20 0.64
CAPN1 P07384 2/20 0.61

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
SCHEMBL27715045 1.00 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL5193470 0.92 CTSS (0.64) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL27715313 0.92 CTSS (0.64) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL5134409 0.92 CTSL (0.72) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL25406813 0.91 CTSK (0.77) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL20770085 0.91 CTSK (0.77) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL14148467 0.91 CTSK (0.77) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL8823918 0.91 CTSK (0.77) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL4872585 0.91 CTSK (0.77) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL2930262 0.91 CTSK (0.77) 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 9 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-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 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
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (2 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
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 CTSL 3387/4885CTSB 2298/4885CTSS 1679/4885

“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.