SCHEMBL61961

SCHEMBL61961

Cc1ccc(N)cc1OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
MAPT P10636 4/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BRD4 O60885 2/20 0.39

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
SCHEMBL28448730 0.85 AAK1 (0.41) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL28520580 0.84 CYP2D6 (0.40) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL13342774 0.77 HPGD (0.51) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL654820 0.76 KDM4A (0.45) ALDH1A1HPGDKDM4ERAB9AEPHX2
SCHEMBL4599344 0.75 KDM4A (0.44) ALDH1A1RAB9AEPHX2BRD4ADRB2
SCHEMBL4017962 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL2171507 0.74 KDM4E (0.43) ALDH1A1MAPTKDM4EGAAEPHX2
SCHEMBL16971068 0.74 AAK1 (0.39) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL18427975 0.73 AAK1 (0.50) AAK1CYP2C9
SCHEMBL28523133 0.73 AAK1 (0.50) AAK1CYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 EP disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 US disclosed
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2017-03-30 US disclosed
US-9550766-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-01-24 US disclosed
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2016-04-28 US disclosed
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP disclosed
US-9227954-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2016-01-05 US disclosed
CN-104744434-A ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP 2015-07-01 CN disclosed
CN-102264720-B Isoindoline compounds for the treatment of cancer CELGENE CORP 2015-03-25 CN disclosed
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2013-02-21 US disclosed
US-8318773-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-11-27 US disclosed
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2012-10-04 US disclosed
US-8222249-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-07-17 US disclosed
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2012-05-17 US disclosed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
CN-102264720-A Isoindoline compounds for the treatment of cancer 2011-11-30 CN disclosed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP disclosed
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 US disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO 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 (6 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-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885HPGD 123/4885MAPT 565/4885

“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.