SCHEMBL5488364

SCHEMBL5488364

CC(C)(C)OC(=O)C[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.49
MMP13 P45452 4/20 0.49
MMP2 P08253 9/20 0.45
MMP3 P08254 4/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FCER2 P06734 2/20 0.43

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
SCHEMBL5488362 1.00 MMP1 (0.49) MMP1MMP13MMP2MMP3CTSL
SCHEMBL13333366 0.87 CACNA1B (0.43) CTSLCTSBCTSSCTSK
SCHEMBL7045270 0.87 CACNA1B (0.43) CTSLCTSBCTSSCTSK
SCHEMBL5488359 0.82 LTA4H (0.47) MMP1MMP13MMP2MMP3CTSS
SCHEMBL5488356 0.82 LTA4H (0.47) MMP1MMP13MMP2MMP3CTSS
SCHEMBL14492864 0.80 MMP1 (0.47) MMP1MMP13MMP2MMP3CTSL
SCHEMBL7045267 0.80 SLC15A1 (0.45) CTSLCTSBCTSSCTSK
SCHEMBL7045269 0.80 SLC15A1 (0.45) CTSLCTSBCTSSCTSK
SCHEMBL7430436 0.78 CTSS (0.50) CTSLCTSBCTSSCTSK
SCHEMBL5488738 0.78 MMP1 (0.43) MMP1MMP13MMP2MMP3

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-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
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 MMP1 3562/4885MMP13 3787/4885MMP2 3159/4885

“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.