SCHEMBL3318541

SCHEMBL3318541

CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.38
MMP13 P45452 2/20 0.38
CTSS P25774 1/20 0.35
PDF Q9HBH1 1/20 0.35

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
SCHEMBL3318536 1.00 MMP1 (0.38) MMP1MMP13CTSSPDF
SCHEMBL3321994 0.87 MMP1 (0.40) MMP1MMP13
SCHEMBL3321988 0.87 MMP1 (0.40) MMP1MMP13
SCHEMBL3320642 0.86 MMP1 (0.39) MMP1MMP13
SCHEMBL3320647 0.86 MMP1 (0.39) MMP1MMP13
SCHEMBL3320063 0.86 FAAH (0.43) MMP1MMP13
SCHEMBL3324846 0.84 MMP1 (0.44) MMP1MMP13
SCHEMBL3324840 0.84 MMP1 (0.44) MMP1MMP13
SCHEMBL3324893 0.83 MMP1 (0.42) MMP1MMP13
SCHEMBL2795032 0.82 MMP1 (0.45) MMP1MMP13

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 MMP1 3086/4885MMP13 3836/4885CTSS 760/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP1 3122/4885MMP13 3849/4885CTSS 749/4885

“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.