SCHEMBL3324893

SCHEMBL3324893

CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.42
MMP13 P45452 3/20 0.42
FAAH O00519 2/20 0.41
MCHR1 Q99705 2/20 0.41
DPP8 Q6V1X1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 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
SCHEMBL3324840 0.90 MMP1 (0.44) MMP1MMP13FAAHMCHR1
SCHEMBL3324846 0.90 MMP1 (0.44) MMP1MMP13FAAHMCHR1
SCHEMBL5496212 0.87 MMP1 (0.42) MMP1MMP13
SCHEMBL5496216 0.87 MMP1 (0.42) MMP1MMP13
SCHEMBL3320339 0.87 MMP2 (0.47) MMP1MMP13
SCHEMBL3315627 0.86 ALDH1A1 (0.53) MCHR1
SCHEMBL3315624 0.86 ALDH1A1 (0.53) MCHR1
SCHEMBL3320647 0.86 MMP1 (0.39) MMP1MMP13FAAH
SCHEMBL3320642 0.86 MMP1 (0.39) MMP1MMP13FAAH
SCHEMBL3320063 0.85 FAAH (0.43) MMP1MMP13FAAHMCHR1

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 2 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-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 (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 3849/4885FAAH 1166/4885

“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.