SCHEMBL5488356

SCHEMBL5488356

CC(C)(C)OC(=O)CC(CC1CCCC1)C(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
MMP1 P03956 6/20 0.42
MMP13 P45452 3/20 0.42
MMP2 P08253 7/20 0.38
MMP3 P08254 4/20 0.38
BMP1 P13497 1/20 0.38
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5488359 1.00 LTA4H (0.47) LTA4HCTSSCTSKMMP1MMP13
SCHEMBL8070574 0.87 MMP1 (0.52) MMP1MMP13MMP2MMP3
SCHEMBL14492872 0.85 LTA4H (0.46) LTA4HCTSSCTSKMMP1MMP13
SCHEMBL1915283 0.83 CTSK (0.43) LTA4HCTSSCTSKMMP2CYP2D6
SCHEMBL1915281 0.83 CTSK (0.43) LTA4HCTSSCTSKMMP2CYP2D6
SCHEMBL14492870 0.82 MMP1 (0.37) LTA4HCTSSCTSKMMP1MMP13
SCHEMBL5488362 0.82 MMP1 (0.49) CTSSCTSKMMP1MMP13MMP2
SCHEMBL5488364 0.82 MMP1 (0.49) CTSSCTSKMMP1MMP13MMP2
SCHEMBL1914687 0.82 CTSK (0.45) LTA4HCTSSCTSKKMT2A
SCHEMBL1704461 0.82 CTSK (0.45) LTA4HCTSSCTSKKMT2A

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-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
EP-1554261-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Limited (GB) 2005-07-20 EP disclosed
WO-2004033441-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-04-22 WO 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-20070129310-A1 Antibacterial agents ARG1, SCO2, SPOUT1 LTA4H 2742/4885CTSS 2180/4885CTSK 2757/4885

“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.