SCHEMBL4523800

SCHEMBL4523800

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCNC(=O)C(CNC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
LPAR3 Q9UBY5 4/20 0.32
GLP1R P43220 8/20 0.32
LPAR1 Q92633 2/20 0.32

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
SCHEMBL3294310 0.94 CAPN1 (0.35) CAPN1SIRT2
SCHEMBL3295787 0.94 CAPN1 (0.35) CAPN1SIRT2
SCHEMBL3288125 0.94 CAPN1 (0.35) CAPN1SIRT2
SCHEMBL3287677 0.90 CAPN1 (0.33) CAPN1SIRT2
SCHEMBL3293178 0.84 DRD2 (0.35) CAPN1SIRT2
SCHEMBL3288380 0.79 TDP1 (0.46)
SCHEMBL6889555 0.79 CA14 (0.35)
SCHEMBL3290841 0.79 CA14 (0.36)
SCHEMBL3288250 0.78
SCHEMBL3287420 0.75 CA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4378/4885SIRT2 3663/4885LPAR3 13/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CAPN1 4378/4885SIRT2 3663/4885LPAR3 13/4885

“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.