SCHEMBL4649465

SCHEMBL4649465

NCCCC(=O)N[C@@H](CCS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.51
FOLH1 Q04609 3/20 0.49
GNPAT O15228 1/20 0.49
NOD1 Q9Y239 5/20 0.47
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
PGGT1B P53609 1/20 0.44
CPB2 Q96IY4 2/20 0.42
C3AR1 Q16581 1/20 0.40
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL4649464 1.00 SLC6A5 (0.51) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL4648005 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL18807817 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL14854309 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL14854318 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL16187733 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL16187738 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL16187737 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL16187739 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA
SCHEMBL14854345 0.93 SLC6A5 (0.59) SLC6A5FOLH1GNPATNOD1FNTA

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-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US claimed
EP-1962911-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE Healthcare Limited (GB) 2008-09-03 EP claimed
WO-2007066119-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 WO claimed
WO-1996040746-A1 LYSYLOXIDASE INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 1996-12-19 WO claimed
US-20080292547-A1 Novel Imaging Agents for Fibrosis TOLLESHAUG HELGE 2008-11-27 US disclosed
EP-1962911-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE Healthcare Limited (GB) 2008-09-03 EP disclosed
WO-2007066119-A2 NOVEL IMAGING AGENTS FOR FIBROSIS GE HEALTHCARE LIMITED (GB) 2007-06-14 WO disclosed
WO-1996040746-A1 LYSYLOXIDASE INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 1996-12-19 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 (1 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-20080292547-A1 Novel Imaging Agents for Fibrosis LOXL1, LOXL2, LOXL3 SLC6A5 2887/4885FOLH1 1072/4885GNPAT 2508/4885

“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.