SCHEMBL3324840

SCHEMBL3324840

CC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.44
MMP13 P45452 4/20 0.44
MCHR1 Q99705 2/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3324846 1.00 MMP1 (0.44) MMP1MMP13MCHR1POLBFAAH
SCHEMBL3324893 0.90 MMP1 (0.42) MMP1MMP13MCHR1FAAH
SCHEMBL3321988 0.89 MMP1 (0.40) MMP1MMP13FAAH
SCHEMBL3321994 0.89 MMP1 (0.40) MMP1MMP13FAAH
SCHEMBL3320642 0.88 MMP1 (0.39) MMP1MMP13FAAHMEN1KMT2A
SCHEMBL3320647 0.88 MMP1 (0.39) MMP1MMP13FAAHMEN1KMT2A
SCHEMBL7529199 0.87 MMP2 (0.49)
SCHEMBL13333362 0.86 MMP1 (0.40) MMP1MMP13
SCHEMBL13333361 0.86 HRH3 (0.43) MMP1MMP13MEN1KMT2A
SCHEMBL3319606 0.85 MMP2 (0.50) MMP1

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 3836/4885MCHR1 1406/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP1 3122/4885MMP13 3849/4885MCHR1 1426/4885

“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.