SCHEMBL2280101

SCHEMBL2280101

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 3/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35
CTSK P43235 5/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSS P25774 2/20 0.32
CA9 Q16790 1/20 0.32
EPHX1 P07099 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
SCHEMBL3180767 0.92 DGAT1 (0.47) DGAT1TDP1CA1CA2CA7
SCHEMBL3936414 0.92 DGAT1 (0.47) DGAT1TDP1CA1CA2CA7
SCHEMBL4549806 0.92 DGAT1 (0.47) DGAT1TDP1CA1CA2CA7
SCHEMBL1164425 0.85 PKM (0.50) TDP1CA1CA7MEN1KMT2A
SCHEMBL20221685 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7
SCHEMBL201901 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7
SCHEMBL16409143 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7
SCHEMBL1486204 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7
SCHEMBL16409166 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7
SCHEMBL2129742 0.84 TDP1 (0.42) DGAT1TDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580747-B2 Cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
US-7989649-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2011-08-02 US disclosed
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 4150/4885TDP1 4820/4885CA1 252/4885
US-20090240041-A1 TUMOR IMAGING COMPOUNDS AADAT, MKI67, SSTR1 DGAT1 4582/4885TDP1 4506/4885CA1 113/4885

“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.