SCHEMBL1961597

SCHEMBL1961597

COc1ccccc1Nc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.62
AKR1C2 P52895 2/20 0.62
FABP4 P15090 2/20 0.62
FABP3 P05413 1/20 0.62
FABP5 Q01469 1/20 0.62
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.59
APAF1 O14727 1/20 0.59
RECQL P46063 1/20 0.59
CASP6 P55212 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
MCL1 Q07820 1/20 0.59
CASP8 Q14790 1/20 0.59
CDC25B P30305 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL30638203 0.87 KDM4E (0.75) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL4246571 0.87 KDM4E (0.75) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL1962918 0.85 CDC25B (0.59) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL1961624 0.85 AKR1C3 (0.62) AKR1C3AKR1C2FABP4FABP3KMT2A
SCHEMBL11648254 0.83 AKR1C3 (0.76) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL11593001 0.82 KMT2A (0.69) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL1962917 0.82 MAPT (0.56) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL15178353 0.81 AKR1C3 (0.54) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL1964690 0.81 AKR1C3 (0.57) AKR1C3AKR1C2FABP4FABP3FABP5
SCHEMBL1961759 0.80 CTSV (0.62) AKR1C3AKR1C2FABP4FABP3FABP5

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 13 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-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 AKR1C3 496/4885AKR1C2 536/4885FABP4 4414/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 AKR1C3 496/4885AKR1C2 536/4885FABP4 4414/4885

“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.