SCHEMBL1963162

SCHEMBL1963162

CCOC(=O)c1cccc(Nc2cccc(OCCN3CCOCC3)c2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.51
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PPARG P37231 2/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL1962723 0.91 PPARG (0.49) EPHX2KDM4EPPARG
SCHEMBL1964681 0.87 PPARG (0.47) EPHX2KDM4ETP53TSHRPPARG
SCHEMBL1964650 0.86 ALDH1A1 (0.48) KDM4ETP53TSHRPPARG
SCHEMBL1963157 0.86 EPHX2 (0.52) EPHX2KDM4ETP53TSHRSYK
SCHEMBL1961347 0.79 AKR1C3 (0.57) TP53TSHR
SCHEMBL1962517 0.78 KMT2A (0.46) KDM4ETSHR
SCHEMBL1961839 0.78 KMT2A (0.48) KDM4ETSHRKCNH2
SCHEMBL1962720 0.77 EGFR (0.51) EPHX2KDM4EPPARG
SCHEMBL1417060 0.77 L3MBTL1 (0.66) KDM4ETP53TSHRPPARG
SCHEMBL15163136 0.76 MAPK14 (0.50) EPHX2KDM4ETP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 EPHX2 696/4885KDM4E 1501/4885TP53 245/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 EPHX2 696/4885KDM4E 1501/4885TP53 245/4885

“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.