SCHEMBL3824323

SCHEMBL3824323

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.71
CTSL P07711 4/20 0.71
CTSB P07858 4/20 0.71
PPARA Q07869 4/20 0.56
PPARG P37231 1/20 0.56
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
CTSK P43235 5/20 0.55
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TACR1 P25103 2/20 0.52
KYNU Q16719 1/20 0.52
SYK P43405 1/20 0.52

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
SCHEMBL2400096 1.00 CTSS (0.71) CTSSCTSLCTSBPPARAPPARG
SCHEMBL2400100 1.00 CTSS (0.71) CTSSCTSLCTSBPPARAPPARG
SCHEMBL5134409 0.95 CTSL (0.72) CTSSCTSLCTSBPPARAPPARG
SCHEMBL3044553 0.90 CTSS (0.70) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL3292733 0.90 CTSS (0.70) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL346954 0.89 CTSS (0.58) CTSSCTSLCTSBPPARAPPARG
SCHEMBL346953 0.89 CTSS (0.58) CTSSCTSLCTSBPPARAPPARG
SCHEMBL18775057 0.88 CTSS (0.57) CTSSCTSLCTSBPPARAPPARG
SCHEMBL18775053 0.88 CTSS (0.57) CTSSCTSLCTSBPPARAPPARG
SCHEMBL13863699 0.88 CTSS (0.57) CTSSCTSLCTSBPPARAPPARG

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 11 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
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 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
CN-101107265-A Cyclic nonapeptide amides AICURIS GMBH & CO KG (DE) 2008-01-16 CN 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP CTSS 459/4885CTSL 65/4885CTSB 110/4885
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 CTSS 339/4885CTSL 360/4885CTSB 313/4885

“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.