SCHEMBL1596437

SCHEMBL1596437

CCCCC[C@H](CN(O)C=O)C(=O)NNCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.47
MMP12 P39900 1/20 0.44
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL1597516 0.84 BMP1 (0.48) BMP1MMP12
SCHEMBL1597518 0.84 BMP1 (0.48) BMP1MMP12
SCHEMBL1597522 0.84 BMP1 (0.48) BMP1MMP12
SCHEMBL6024599 0.83 BMP1 (0.49) BMP1MMP12ALDH1A1
SCHEMBL1595893 0.81 BMP1 (0.57) BMP1MMP12
SCHEMBL1595896 0.81 BMP1 (0.57) BMP1MMP12
SCHEMBL1595891 0.81 BMP1 (0.57) BMP1MMP12
SCHEMBL1596440 0.80 BMP1 (0.47) BMP1MMP12
SCHEMBL1596443 0.80 BMP1 (0.47) BMP1MMP12
SCHEMBL1596427 0.79 HDAC3 (0.47) BMP1MMP12ALOX5

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
JP-4563798-B2 2010-10-13 JP claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP claimed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP claimed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO 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
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 BMP1 1513/4885MMP12 332/4885MAPK1 3910/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885MMP12 1436/4885MAPK1 3587/4885

“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.