SCHEMBL1595933

SCHEMBL1595933

CCCCC[C@H](CN(O)C=O)C(=O)NNC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.41
PAK1 Q13153 1/20 0.38
MMP12 P39900 1/20 0.38
P2RX7 Q99572 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
RAB9A P51151 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
SCHEMBL4582906 1.00 BMP1 (0.41) BMP1PAK1MMP12P2RX7CYP2C9
SCHEMBL1595935 1.00 BMP1 (0.41) BMP1PAK1MMP12P2RX7CYP2C9
SCHEMBL2782850 0.84 TSHR (0.43) BMP1
SCHEMBL1596956 0.84 TSHR (0.43) BMP1
SCHEMBL1596960 0.84 TSHR (0.43) BMP1
SCHEMBL1596337 0.80 BMP1 (0.49) BMP1
SCHEMBL1596338 0.80 BMP1 (0.49) BMP1
SCHEMBL1596333 0.80 BMP1 (0.49) BMP1
SCHEMBL1596984 0.78 ALDH1A1 (0.47) BMP1MMP12RAB9A
SCHEMBL1596987 0.78 ALDH1A1 (0.47) BMP1MMP12RAB9A

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 1513/4885PAK1 1264/4885MMP12 332/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 BMP1 1590/4885PAK1 1683/4885MMP12 1436/4885

“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.