SCHEMBL13333365

SCHEMBL13333365

C/C=C\C(=C/C)C(=O)N1CCN(C(=O)[C@@H](NC(=O)[C@@H](CC(=O)NOC(C)OCC(C)C)CC2CCCC2)C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
BMP1 P13497 1/20 0.32
MMP1 P03956 2/20 0.30
MMP13 P45452 1/20 0.30
CTSL P07711 2/20 0.30
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL3323173 0.85 LTA4H (0.37) LTA4HMMP2MMP3BMP1MMP1
SCHEMBL3319461 0.80 ATM (0.39) MMP2MMP3BMP1MMP1MMP13
SCHEMBL3320499 0.79 MMP1 (0.41) MMP2MMP3BMP1MMP1MMP13
SCHEMBL3320496 0.79 MMP1 (0.41) MMP2MMP3BMP1MMP1MMP13
SCHEMBL3320624 0.78 ALDH1A1 (0.39)
SCHEMBL3319795 0.70 LTA4H (0.45) LTA4HMMP2MMP3MMP1CTSK
SCHEMBL3319798 0.70 LTA4H (0.45) LTA4HMMP2MMP3MMP1CTSK
SCHEMBL14492873 0.70 LTA4H (0.53) LTA4HMMP2MMP3BMP1MMP1
SCHEMBL14492870 0.67 MMP1 (0.37) LTA4HMMP2MMP3BMP1MMP1
SCHEMBL14492875 0.65 MMP2 (0.52) LTA4HMMP2MMP3BMP1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 LTA4H 2125/4885MMP2 1579/4885MMP3 3780/4885

“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.