SCHEMBL1962086

SCHEMBL1962086

COc1cccc(Nc2cccc(C(=O)O)c2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.71
AKR1C2 P52895 10/20 0.71
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
GFER P55789 3/20 0.59
TSHR P16473 2/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
TAS2R14 Q9NYV8 1/20 0.56
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL11540106 0.89 AKR1C3 (0.79) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL1961347 0.86 AKR1C3 (0.57) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL1963433 0.86 AKR1C3 (0.62) AKR1C3AKR1C2MEN1KMT2AMAPK1
SCHEMBL9594696 0.84 AKR1C3 (0.81) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL1961346 0.83 AKR1C3 (0.59) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL9594214 0.83 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL30701240 0.83 AKR1C3 (1.00) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL1961759 0.82 CTSV (0.62) AKR1C3AKR1C2MEN1KMT2APKM
SCHEMBL1961624 0.81 AKR1C3 (0.62) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL1963952 0.80 FABP4 (0.68) AKR1C3AKR1C2MEN1KMT2AGFER

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 AKR1C3 496/4885AKR1C2 536/4885MEN1 907/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 AKR1C3 496/4885AKR1C2 536/4885MEN1 907/4885

“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.