SCHEMBL13333362

SCHEMBL13333362

CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
MMP13 P45452 2/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
C3AR1 Q16581 1/20 0.39

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
SCHEMBL13333341 0.88 KMT2A (0.42) KDM4EALDH1A1
SCHEMBL3324846 0.86 MMP1 (0.44) MMP1MMP13
SCHEMBL3324840 0.86 MMP1 (0.44) MMP1MMP13
SCHEMBL3320464 0.86 MMP2 (0.46) MMP1MMP13
SCHEMBL3324893 0.85 MMP1 (0.42) MMP1MMP13
SCHEMBL3320063 0.85 FAAH (0.43) MMP1MMP13
SCHEMBL3320642 0.84 MMP1 (0.39) MMP1MMP13
SCHEMBL3320647 0.84 MMP1 (0.39) MMP1MMP13
SCHEMBL3315624 0.82 ALDH1A1 (0.53) KDM4EALDH1A1
SCHEMBL3315627 0.82 ALDH1A1 (0.53) KDM4EALDH1A1

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 3 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-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 MMP1 3122/4885MMP13 3849/4885CYP3A4 1204/4885

“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.