SCHEMBL6477869

SCHEMBL6477869

COC(=O)C1(NC(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)CCC(OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
CTSS P25774 5/20 0.38
CTSK P43235 5/20 0.38
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CACNA1B Q00975 5/20 0.35
AAK1 Q2M2I8 2/20 0.34
CTSB P07858 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL5048251 0.91 CTSL (0.42) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL5048335 0.87 CTSL (0.43) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL3827241 0.86 CTSL (0.45) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL17816955 0.83 MAPT (0.39) CTSKKMT2ANFKB1NFKB2RELA
SCHEMBL16142024 0.83 MAPT (0.39) CTSKKMT2ANFKB1NFKB2RELA
SCHEMBL5045486 0.77 CTSL (0.43) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL3817398 0.75 CTSL (0.46) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL6477873 0.74 CTSS (0.34) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL15086641 0.74 HDAC4 (0.41) CTSLHDAC4HDAC1CTSSCTSK
SCHEMBL12070307 0.73 HDAC4 (0.41) CTSLHDAC4HDAC1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US 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 (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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP CTSL 65/4885HDAC4 2694/4885HDAC1 3718/4885

“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.