SCHEMBL2789871

SCHEMBL2789871

CCOC(=O)COc1cc(N)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
PPOX P50336 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42

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
SCHEMBL6558629 0.87 LMNA (0.70) GAAPKML3MBTL1TDP1TSHR
SCHEMBL7533766 0.87 PPOX (0.56) GAAPKML3MBTL1TDP1TSHR
SCHEMBL13215132 0.81 MAPK1 (0.52) GAAPKML3MBTL1TDP1TSHR
SCHEMBL3531540 0.81 ALDH1A1 (0.56) GAAPKML3MBTL1TDP1TSHR
SCHEMBL31384765 0.81 MAPK1 (0.52) GAAPKML3MBTL1TDP1TSHR
SCHEMBL15040809 0.80 GAA (0.53) GAAPKML3MBTL1TDP1TSHR
SCHEMBL10646851 0.79 LMNA (0.42) GAAPKML3MBTL1TDP1TSHR
SCHEMBL25658779 0.78 NPC1 (0.61) GAAL3MBTL1LMNAPPOXALDH1A1
SCHEMBL7561254 0.78 PPOX (0.53) GAAPKML3MBTL1TDP1TSHR
SCHEMBL28001905 0.78 GAA (0.53) GAAPKMTDP1LMNAALDH1A1

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-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US disclosed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US disclosed
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP disclosed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 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-20060293338-A1 Novel chemical compounds HIPK3, HIPK1, HIPK4 GAA 770/4885PKM 3027/4885L3MBTL1 400/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA GAA 2041/4885PKM 539/4885L3MBTL1 1923/4885

“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.