SCHEMBL1964677

SCHEMBL1964677

COC(=O)c1cccc(Nc2ccc(OCCN3CCOCC3)cc2F)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
EPHX2 P34913 4/20 0.49
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
GAA P10253 2/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL1964649 0.89 MAPK1 (0.51) MAPK14KDM4ETP53TSHRPPARG
SCHEMBL15163136 0.87 MAPK14 (0.50) MAPK14EPHX2KDM4ETP53TSHR
SCHEMBL1964681 0.87 PPARG (0.47) MAPK14EPHX2KDM4ETP53TSHR
SCHEMBL1963157 0.86 EPHX2 (0.52) EPHX2KDM4ETP53TSHR
SCHEMBL1962720 0.86 EGFR (0.51) EPHX2KDM4EPPARGGAASMN1; SMN2
SCHEMBL1962514 0.80 KMT2A (0.53) KDM4ETSHRGAAKMT2ASMN1; SMN2
SCHEMBL1961837 0.80 KMT2A (0.55) KDM4ETSHRGAAKMT2ASMN1; SMN2
SCHEMBL1964650 0.78 ALDH1A1 (0.48) KDM4ETP53TSHRPPARGSMN1; SMN2
SCHEMBL2197399 0.77 MAPK14 (0.56) MAPK14EPHX2
SCHEMBL30344157 0.75 NPC1 (0.59) KDM4ETP53TSHRPPARGGAA

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 14 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
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-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US 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
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 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
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
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US 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 MAPK14 3995/4885EPHX2 696/4885KDM4E 1501/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 MAPK14 3995/4885EPHX2 696/4885KDM4E 1501/4885

“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.