SCHEMBL1596797

SCHEMBL1596797

COc1ccc2nc(NNC(=O)[C@H](CC3CCCC3)CN(O)C=O)nnc2c1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 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
SCHEMBL1596803 1.00 KLK7 (0.35) KLK7
SCHEMBL1596998 0.99 NPC1 (0.36)
SCHEMBL1596988 0.99 NPC1 (0.36)
SCHEMBL1595629 0.89 METAP2 (0.37)
SCHEMBL1595620 0.89 METAP2 (0.37)
SCHEMBL1594866 0.86 HPGDS (0.36)
SCHEMBL1594869 0.86 HPGDS (0.36)
SCHEMBL1596015 0.86 BMP1 (0.38)
SCHEMBL1596008 0.86 BMP1 (0.38)
SCHEMBL1595710 0.85 BMP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US claimed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20080161249-A1 Use of Novel Antibacterial Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-03 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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 (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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 KLK7 2663/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KLK7 1755/4885

“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.