SCHEMBL1964092

SCHEMBL1964092

COC(=O)c1cccc(Nc2cc(OC)ccc2OC)c1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
GAA P10253 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TOP1 P11387 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL1963476 0.90 MAPT (0.54) AKR1C3AKR1C2MAPTKDM4EHSD17B10
SCHEMBL1962917 0.85 MAPT (0.56) AKR1C3AKR1C2MAPTHPGDKDM4E
SCHEMBL1964094 0.82 CDC25B (0.55) AKR1C3AKR1C2MAPTHPGDKDM4E
SCHEMBL1964929 0.82 MEN1 (0.55) AKR1C3AKR1C2MAPTKDM4EHSD17B10
SCHEMBL1961346 0.81 AKR1C3 (0.59) AKR1C3AKR1C2MAPTHPGDLMNA
SCHEMBL14376023 0.81 AKR1C3 (0.82) AKR1C3AKR1C2MAPTHPGDKDM4E
SCHEMBL1964216 0.81 MAPT (0.56) AKR1C3AKR1C2MAPTHPGDKDM4E
SCHEMBL1961716 0.80 CTSV (0.53) MAPTHPGDKDM4ELMNAHSD17B10
SCHEMBL1963245 0.77 RXFP1 (0.41) AKR1C3AKR1C2MAPTKDM4ENPSR1
SCHEMBL1964674 0.75 KDR (0.44) HPGDKDM4ELMNAALDH1A1SMN1; SMN2

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 15 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
CN-101291924-A Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORP (US) 2008-10-22 CN 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 AKR1C3 496/4885AKR1C2 536/4885MAPT 553/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 AKR1C3 496/4885AKR1C2 536/4885MAPT 553/4885

“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.