SCHEMBL2382837

SCHEMBL2382837

CCOC(=O)c1cccc(NCCOC)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 6/20 0.46
CDC25B P30305 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MAPK10 P53779 1/20 0.43

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
SCHEMBL2382948 0.86 MAPK1 (0.51) PTGER4KDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL11159304 0.85 KDM4E (0.62) PTGER4KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL2382719 0.85 TSHR (0.46) KDM4EHSD17B10ALDH1A1TDP1NPSR1
SCHEMBL2382998 0.84 KDM4E (0.47) KDM4EHSD17B10ALDH1A1TDP1NPSR1
SCHEMBL28183356 0.81 MAPK1 (0.51) PTGER4KDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL2382834 0.81 KDM4E (0.55) PTGER4KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL6164753 0.80 KDM4E (0.52) KDM4EHSD17B10ALDH1A1TDP1NPSR1
SCHEMBL1961993 0.80 KDM4E (0.47) KDM4EHSD17B10ALDH1A1TDP1NPSR1
SCHEMBL11521675 0.79 TSHR (0.68) HSD17B10ALDH1A1MAPTRAB9ATDP1
SCHEMBL29065716 0.79 LMNA (0.52) KDM4EHSD17B10ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012997-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2011-09-06 US disclosed
EP-2168958-A1 Isoindole-Imide Compounds, Compositions And Uses Thereof CELGENE CORPORATION (US) 2010-03-31 EP disclosed
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION 2009-11-19 US disclosed
US-7576104-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2009-08-18 US disclosed
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 EP disclosed
US-7091353-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2006-08-15 US disclosed
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2006-02-02 US disclosed
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP disclosed
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-05-22 US disclosed
US-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-03-06 US disclosed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 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 (4 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-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 PTGER4 1293/4885KDM4E 2801/4885HSD17B10 3247/4885
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF TNF, IKZF3, TNFRSF1A PTGER4 1404/4885KDM4E 3103/4885HSD17B10 3313/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A PTGER4 1404/4885KDM4E 3103/4885HSD17B10 3313/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 PTGER4 1293/4885KDM4E 2801/4885HSD17B10 3247/4885

“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.