SCHEMBL4576559

SCHEMBL4576559

COC(=O)[C@H](CC1CCCC1)NC(=O)[C@@H](CC1CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.65
CTSK P43235 3/20 0.65
AAK1 Q2M2I8 2/20 0.53
REN P00797 3/20 0.47
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CACNA1B Q00975 6/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL4576713 0.95 CTSK (0.63) CTSSCTSKAAK1RENHDAC4
SCHEMBL4576704 0.95 CTSK (0.63) CTSSCTSKAAK1RENHDAC4
SCHEMBL19385461 0.95 CTSK (0.63) CTSSCTSKAAK1RENHDAC4
SCHEMBL23118362 0.93 CTSK (0.65) CTSSCTSKAAK1RENHDAC4
SCHEMBL21427217 0.93 CTSK (0.65) CTSSCTSKAAK1RENHDAC4
SCHEMBL5063217 0.93 CTSK (0.65) CTSSCTSKAAK1RENHDAC4
SCHEMBL1424546 0.93 CTSK (0.65) CTSSCTSKAAK1RENHDAC4
SCHEMBL21119399 0.93 CTSK (0.65) CTSSCTSKAAK1RENHDAC4
SCHEMBL29414317 0.92 CTSK (0.60) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL14151599 0.89 CTSS (0.63) CTSSCTSKAAK1HDAC4HDAC1

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 CTSS 339/4885CTSK 682/4885AAK1 2008/4885

“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.