Sugi Predict

Sugi Predict / Compounds / SCHEMBL3288380

SCHEMBL3288380

SCHEMBL3288380

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCO)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.39
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ACHE P22303 6/20 0.33
▸ CTSK P43235 4/20 0.33
▸ CTSS P25774 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL3290841 0.92 CA14 (0.36) TDP1CA14MEN1KMT2AGAA
SCHEMBL6889555 0.91 CA14 (0.35) TDP1CA14MEN1KMT2AGAA
SCHEMBL3287420 0.88 CA1 (0.34) TDP1CA14MEN1KMT2AGAA
SCHEMBL3293178 0.87 DRD2 (0.35) TDP1CA14MEN1KMT2AGAA
SCHEMBL3288396 0.84 TDP1 (0.53) TDP1CA14MEN1KMT2AGAA
SCHEMBL3294310 0.83 CAPN1 (0.35) CA14
SCHEMBL3295787 0.83 CAPN1 (0.35) CA14
SCHEMBL3288125 0.83 CAPN1 (0.35) CA14
SCHEMBL13327079 0.80 TDP1 (0.60) TDP1CA14MEN1KMT2AGAA
SCHEMBL7747687 0.79 MAOA (0.41) TDP1MEN1KMT2AGAAMAOA

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 9 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
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 — — EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 — — WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 — — EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 — — 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885CA14 1988/4885MEN1 1304/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885CA14 1988/4885MEN1 1304/4885

“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.