SCHEMBL1961759

SCHEMBL1961759

COc1ccc(Nc2cccc(C(=O)O)c2C(=O)O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.62
CTSL P07711 3/20 0.62
CHEK1 O14757 1/20 0.52
PIM1 P11309 1/20 0.52
MAPK8 P45983 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
PTGS2 P35354 3/20 0.52
TOP1 P11387 1/20 0.52
KDM4E B2RXH2 2/20 0.51
APAF1 O14727 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MCL1 Q07820 1/20 0.51
CASP8 Q14790 1/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 3/20 0.51
FABP3 P05413 1/20 0.50

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
SCHEMBL1964822 0.90 CTSV (0.58) CTSVCTSLCHEK1PIM1MAPK8
SCHEMBL1962156 0.90 CDC7 (0.58) CTSVCTSLCHEK1PIM1MAPK8
SCHEMBL1961719 0.87 CTSV (0.55) CTSVCTSLPTGS2TOP1KDM4E
SCHEMBL1961716 0.84 CTSV (0.53) CTSVCTSLPTGS2TOP1KDM4E
SCHEMBL1962086 0.82 AKR1C3 (0.71) CTSVCTSLMEN1KMT2ALMNA
SCHEMBL1963433 0.82 AKR1C3 (0.62) CTSVCTSLMEN1KMT2ALMNA
SCHEMBL1964589 0.81 CTSV (0.52) CTSVCTSLPTGS2TOP1MEN1
SCHEMBL9953735 0.81 CTSV (0.69) CTSVCTSLCHEK1PIM1MAPK8
SCHEMBL1961597 0.80 AKR1C3 (0.62) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL2492334 0.77 CTSV (0.65) CTSVCTSLCHEK1PIM1MAPK8

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 CTSV 1759/4885CTSL 1784/4885CHEK1 2489/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CTSV 1759/4885CTSL 1784/4885CHEK1 2489/4885

“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.