SCHEMBL2276383

SCHEMBL2276383

CC(C)(C)OC(=O)CNC(C)(CO)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPRC P08575 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2279420 0.84 DGAT1 (0.38) DGAT1CA12CA2CA14PTPRC
SCHEMBL2282604 0.76 DGAT1 (0.45) DGAT1CA12CA2CA14TDP1
SCHEMBL756932 0.76 CA2 (0.39) DGAT1CA12CA2CA14TDP1
SCHEMBL2280101 0.73 DGAT1 (0.42) DGAT1CA12CA2CA14TDP1
SCHEMBL7428244 0.73 DGAT1 (0.47) DGAT1CA12CA2CA14TDP1
SCHEMBL21564883 0.71 CA2 (0.36) DGAT1CA12CA2CA14TDP1
SCHEMBL23894059 0.71 CA2 (0.41) DGAT1CA12CA2CA14TDP1
SCHEMBL783009 0.71 CA2 (0.41) DGAT1CA12CA2CA14TDP1
SCHEMBL21625398 0.70 DGAT1 (0.36) DGAT1CA12CA2CA14PTPRC
SCHEMBL6097359 0.69 CA2 (0.35) DGAT1CA12CA2CA14TDP1

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-7989649-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2011-08-02 US disclosed
EP-1499584-B1 TUMOR IMAGING COMPOUNDS UNIV EMORY (US) 2010-08-18 EP disclosed
US-20090240041-A1 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2009-09-24 US disclosed
US-7544715-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2009-06-09 US disclosed
EP-1499584-A4 TUMOR IMAGING COMPOUNDS UNIV EMORY (US) 2007-08-15 EP disclosed
US-20050192458-A1 radiolabeled amino acids for use as metabolic tracers to image tumors using positron emission tomography; combine the advantageous properties of alpha -aminoisobutyric acid analogs namely, their rapid uptake and prolonged retention in tumors with the properties of halogen sustituents EMORY UNIVERSITY 2005-09-01 US disclosed
EP-1499584-A2 TUMOR IMAGING COMPOUNDS Emory University (US) 2005-01-26 EP disclosed
WO-2003093412-A2 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2003-11-13 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-20050192458-A1 radiolabeled amino acids for use as metabolic tracers to image tumors using positron emission tomography; combine the advantageous properties of alpha -aminoisobutyric acid analogs namely, their rapid uptake and prolonged retention in tumors with the properties of halogen sustituents SLC43A1, SLC1A5, SSTR4 DGAT1 4150/4885CA12 126/4885CA2 993/4885
US-20090240041-A1 TUMOR IMAGING COMPOUNDS AADAT, MKI67, SSTR1 DGAT1 4582/4885CA12 57/4885CA2 1048/4885

“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.