SCHEMBL5501617

SCHEMBL5501617

CC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)C(=O)N1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.39
MMP1 P03956 4/20 0.38
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 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
SCHEMBL5501621 1.00 CCR1 (0.39) CCR1MMP1MMP3MMP13MMP2
SCHEMBL5495841 0.92 MMP1 (0.42) MMP1MMP3MMP13MMP2
SCHEMBL5495839 0.92 MMP1 (0.42) MMP1MMP3MMP13MMP2
SCHEMBL5496209 0.82 MMP1 (0.45) MMP1MMP3MMP13MMP2
SCHEMBL5496205 0.82 MMP1 (0.45) MMP1MMP3MMP13MMP2
SCHEMBL14492863 0.82 PDF (0.42) MMP1MMP13
SCHEMBL2793204 0.82 ALDH1A1 (0.46) MMP1MMP3MMP13MMP2MMP8
SCHEMBL2793201 0.82 ALDH1A1 (0.46) MMP1MMP3MMP13MMP2MMP8
SCHEMBL13333334 0.81 PDF (0.43) MMP1MMP3MMP13MMP2MMP8
SCHEMBL14573452 0.81 PDF (0.43) MMP1MMP3MMP13MMP2MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 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-20070129310-A1 Antibacterial agents ARG1, SCO2, SPOUT1 CCR1 1730/4885MMP1 3562/4885MMP3 3419/4885

“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.