SCHEMBL3321994

SCHEMBL3321994

CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.40
MMP13 P45452 3/20 0.40
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL3321988 1.00 MMP1 (0.40) MMP1MMP13TACR2TACR3OPRM1
SCHEMBL3324846 0.89 MMP1 (0.44) MMP1MMP13FAAH
SCHEMBL3324840 0.89 MMP1 (0.44) MMP1MMP13FAAH
SCHEMBL3318536 0.87 MMP1 (0.38) MMP1MMP13
SCHEMBL3318541 0.87 MMP1 (0.38) MMP1MMP13
SCHEMBL2795037 0.84 MMP1 (0.45) MMP1MMP13MMP2
SCHEMBL2795032 0.84 MMP1 (0.45) MMP1MMP13MMP2
SCHEMBL3324893 0.84 MMP1 (0.42) MMP1MMP13FAAH
SCHEMBL6135506 0.82 MMP1 (0.48) MMP1MMP13MMP2
SCHEMBL6135720 0.82 MMP1 (0.48) MMP1MMP13MMP2

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 3836/4885TACR2 1042/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP1 3122/4885MMP13 3849/4885TACR2 1028/4885

“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.