SCHEMBL6477873

SCHEMBL6477873

COC(=O)C1(N)CCC(OC)CC1C(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
CACNA1B Q00975 5/20 0.33
CTSL P07711 1/20 0.33
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
HDAC6 Q9UBN7 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5048258 0.93 CTSS (0.36) CTSSCTSKCACNA1BCTSLHDAC4
SCHEMBL6472444 0.87 CTSS (0.35) CTSSCTSKCACNA1BCTSLHDAC4
SCHEMBL6477869 0.74 CTSL (0.42) CTSSCTSKCACNA1BCTSLHDAC4
SCHEMBL5048251 0.70 CTSL (0.42) CTSSCTSKCACNA1BCTSLHDAC4
SCHEMBL27500620 0.69 KMT2A (0.38) CTSSCTSKCACNA1BCTSLHDAC4
SCHEMBL2367410 0.68 CTSK (0.47) CTSSCTSKCTSLNFKB1NFKB2
SCHEMBL3049273 0.68 CTSK (0.47) CTSSCTSKCTSLNFKB1NFKB2
SCHEMBL27485714 0.67 CACNA1B (0.53) CTSSCTSKCACNA1BITGB3ITGA2B
SCHEMBL5049225 0.66 EPHX2 (0.32)
SCHEMBL18762457 0.65 CTSK (0.47) CTSSCTSKCTSLCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 459/4885CTSK 393/4885CACNA1B 3897/4885

“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.