SCHEMBL3319795

SCHEMBL3319795

CC(C)COC(C)ONC(=O)CC(CC1CCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
CTSD P07339 2/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CPB2 Q96IY4 4/20 0.32
CTSK P43235 1/20 0.32
CPN1 P15169 2/20 0.32
FCER2 P06734 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL3319798 1.00 LTA4H (0.45) LTA4HMETAP2METAP1SLC1A3SLC1A2
SCHEMBL13361603 0.83 ALDH1A1 (0.36) LTA4HMETAP2CTSDCTSKALDH1A1
SCHEMBL3324823 0.82 CTSD (0.42) LTA4HMETAP2METAP1CTSDMMP1
SCHEMBL3324815 0.82 CTSD (0.42) LTA4HMETAP2METAP1CTSDMMP1
SCHEMBL5656716 0.76 PDF (0.41) METAP2METAP1CTSK
SCHEMBL181417 0.68 CYP2C9 (0.31) KMT2A
SCHEMBL4603755 0.68 MMP2 (0.51) LTA4HMMP1MMP2MMP3CPB2
SCHEMBL4603751 0.68 MMP2 (0.51) LTA4HMMP1MMP2MMP3CPB2
SCHEMBL2856572 0.66 MMP2 (0.50) LTA4HSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL31109109 0.66 LTA4H (0.48) LTA4HSLC1A3SLC1A2SLC1A1MMP2

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-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 LTA4H 2332/4885METAP2 3112/4885METAP1 3251/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 LTA4H 2125/4885METAP2 3137/4885METAP1 3201/4885

“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.