SCHEMBL1596233

SCHEMBL1596233

CCCCCC(CN(O)C=O)C(=O)NNC1CCN(C(=O)c2cc3cccc(OC)c3o2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 11/20 0.65
MMP12 P39900 4/20 0.65
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL1596230 1.00 BMP1 (0.65) BMP1MMP12DPP4DPP9CHRNA7
SCHEMBL4583761 1.00 BMP1 (0.65) BMP1MMP12DPP4DPP9CHRNA7
SCHEMBL1596984 0.87 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL1596987 0.87 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL1596978 0.87 ALDH1A1 (0.47) BMP1MMP12ALDH1A1HPGD
SCHEMBL2783859 0.85 BMP1 (0.60) BMP1MMP12DPP4DPP9CHRNA7
SCHEMBL2783856 0.85 BMP1 (0.60) BMP1MMP12DPP4DPP9CHRNA7
SCHEMBL1595933 0.77 BMP1 (0.41) BMP1MMP12
SCHEMBL1595935 0.77 BMP1 (0.41) BMP1MMP12
SCHEMBL4582906 0.77 BMP1 (0.41) BMP1MMP12

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 5 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
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 BMP1 1513/4885MMP12 332/4885DPP4 79/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885MMP12 1436/4885DPP4 46/4885

“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.