SCHEMBL3293176

SCHEMBL3293176

CCCCC(NC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)N)CN(C(=O)OC(C)(C)C)C(CCC)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
NOD1 Q9Y239 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
DRD2 P14416 1/20 0.32
CTSK P43235 3/20 0.32
GLP1R P43220 3/20 0.31
DNM1 Q05193 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3293189 0.88 CAPN1 (0.39) CAPN1NOD1DRD2CTSKGLP1R
SCHEMBL3290839 0.85 CTSK (0.35) CTSK
SCHEMBL3288375 0.83 TDP1 (0.36) CTSK
SCHEMBL6889549 0.82 CTSK (0.33) CTSK
SCHEMBL3287414 0.79 CTSK (0.32) CTSK
SCHEMBL3289305 0.74 CAPN1 (0.32) CAPN1DRD2
SCHEMBL3293178 0.74 DRD2 (0.35) CAPN1NOD1DRD2CTSKDNM1
SCHEMBL3290851 0.71 CTSK (0.37) CTSK
SCHEMBL4519161 0.71 CTSK (0.32) CTSK
SCHEMBL3293190 0.69 CA14 (0.36) CAPN1DRD2CTSKHDAC8CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CAPN1 4378/4885NOD1 4433/4885SLC6A5 3050/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CAPN1 4378/4885NOD1 4433/4885SLC6A5 3050/4885

“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.