SCHEMBL3324823

SCHEMBL3324823

CC(C)COC(C)ONC(=O)C[C@@H](CC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
MMP1 P03956 4/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
FCER2 P06734 2/20 0.39
LTA4H P09960 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL3324815 1.00 CTSD (0.42) CTSDMMP1MMP2MMP3CTSK
SCHEMBL3319798 0.82 LTA4H (0.45) CTSDMMP1MMP2MMP3CTSK
SCHEMBL3320496 0.80 MMP1 (0.41) MMP1MMP2MMP3CTSSFCER2
SCHEMBL3320499 0.80 MMP1 (0.41) MMP1MMP2MMP3CTSSFCER2
SCHEMBL13361603 0.80 ALDH1A1 (0.36) CTSDCTSKCTSLCTSBLTA4H
SCHEMBL3323186 0.77 MMP2 (0.54) MMP1MMP2MMP3CTSKCTSS
SCHEMBL3323188 0.77 MMP2 (0.54) MMP1MMP2MMP3CTSKCTSS
SCHEMBL5656716 0.77 PDF (0.41) CTSKCTSLCTSBMETAP2METAP1
SCHEMBL1628776 0.76 MMP2 (0.53) MMP1MMP2MMP3CTSKCTSS
SCHEMBL13333366 0.73 CACNA1B (0.43) CTSKCTSSCTSLCTSBATM

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 6 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
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 CTSD 2016/4885MMP1 3086/4885MMP2 1540/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CTSD 2034/4885MMP1 3122/4885MMP2 1579/4885

“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.