SCHEMBL5656716

SCHEMBL5656716

CC(C)COC(C)ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CCCCN1C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.41
CCKBR P32239 1/20 0.36
NPY5R Q15761 1/20 0.36
KLK7 P49862 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
DPP4 P27487 1/20 0.35
EPHX2 P34913 1/20 0.35
FAAH O00519 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL14607214 0.86 PDF (0.41) PDFCCKBRNPY5RKLK7CTSL
SCHEMBL14573079 0.83 PDF (0.48) PDFCCKBRNPY5RKLK7CTSL
SCHEMBL5657915 0.82 PDF (0.58) PDFEPHX2
SCHEMBL3324815 0.77 CTSD (0.42) CTSLCTSBCTSKMETAP2METAP1
SCHEMBL3324823 0.77 CTSD (0.42) CTSLCTSBCTSKMETAP2METAP1
SCHEMBL3319798 0.76 LTA4H (0.45) CTSKMETAP2METAP1
SCHEMBL3319795 0.76 LTA4H (0.45) CTSKMETAP2METAP1
SCHEMBL5660726 0.72
SCHEMBL3320499 0.72 MMP1 (0.41)
SCHEMBL3320496 0.72 MMP1 (0.41)

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-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US disclosed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US disclosed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP disclosed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 WO 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-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 PDF 158/4885CCKBR 1046/4885NPY5R 37/4885

“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.