SCHEMBL1596984

SCHEMBL1596984

CCCCC[C@@H](CN(O)C=O)C(=O)NNC1CCN(C(=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BMP1 P13497 7/20 0.47
MMP12 P39900 1/20 0.46
USP2 O75604 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1596987 1.00 ALDH1A1 (0.47) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1596978 1.00 ALDH1A1 (0.47) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4583761 0.87 BMP1 (0.65) ALDH1A1HPGDBMP1MMP12
SCHEMBL1596230 0.87 BMP1 (0.65) ALDH1A1HPGDBMP1MMP12
SCHEMBL1596233 0.87 BMP1 (0.65) ALDH1A1HPGDBMP1MMP12
SCHEMBL6024195 0.83 BMP1 (0.59) NPC1RAB9ABMP1MMP12POLB
SCHEMBL1596333 0.80 BMP1 (0.49) BMP1
SCHEMBL1596337 0.80 BMP1 (0.49) BMP1
SCHEMBL1596338 0.80 BMP1 (0.49) BMP1
SCHEMBL1596956 0.79 TSHR (0.43) HPGDBMP1

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 8 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
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 ALDH1A1 4213/4885HPGD 1855/4885NPC1 724/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ALDH1A1 4302/4885HPGD 2537/4885NPC1 1328/4885

“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.