SCHEMBL1597585

SCHEMBL1597585

CCCCCC(CN(O)C=O)C(=O)NNCC1COc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.49
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
MTNR1A P48039 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MMP12 P39900 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AIMP2 Q13155 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL1597584 1.00 BMP1 (0.49) BMP1ALOX5POLBESR2MTNR1A
SCHEMBL1597581 1.00 BMP1 (0.49) BMP1ALOX5POLBESR2MTNR1A
SCHEMBL6024374 0.84 HPGD (0.52) BMP1POLBHPGDALDH1A1CYP2C19
SCHEMBL1596011 0.76 BMP1 (0.45) BMP1MMP12
SCHEMBL1596007 0.76 BMP1 (0.45) BMP1MMP12
SCHEMBL1596010 0.76 BMP1 (0.45) BMP1MMP12
SCHEMBL1595891 0.75 BMP1 (0.57) BMP1MMP12
SCHEMBL1595893 0.75 BMP1 (0.57) BMP1MMP12
SCHEMBL1595896 0.75 BMP1 (0.57) BMP1MMP12
SCHEMBL1597405 0.75 BMP1 (0.49) BMP1HPGDALDH1A1MMP12RAB9A

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 12 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
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US 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 1513/4885ALOX5 2057/4885POLB 1381/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885ALOX5 3452/4885POLB 2001/4885

“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.