SCHEMBL61257

SCHEMBL61257

CC(C)(C)OC(=O)c1cc(Cl)ccc1NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 1/20 0.41
SERPINE1 P05121 1/20 0.40
CCR9 P51686 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EGFR P00533 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CDC25A P30304 1/20 0.37
PPARG P37231 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL4629588 0.85 EGFR (0.49) KDM4EHSD17B10ALDH1A1TDP1ADRA1A
SCHEMBL7273570 0.85 CISD2 (0.40) KDM4EGAAALDH1A1ADRA1AADRA1B
SCHEMBL5778950 0.84 ADRA1A (0.38) ALDH1A1TDP1ADRA1AADRA1BEGFR
SCHEMBL219602 0.80 ADRA1A (0.55) KDM4EHSD17B10GAAALDH1A1GLA
SCHEMBL2475653 0.79 KDM4E (0.58) KDM4EHSD17B10SERPINE1ALDH1A1TSHR
SCHEMBL7385926 0.78 ALDH1A1 (0.41) ALDH1A1ADRA1AADRA1BEGFRMAPT
SCHEMBL27558940 0.77 KDM4E (0.40) KDM4EHSD17B10SERPINE1GAAALDH1A1
SCHEMBL18967220 0.76 KDM4E (0.44) KDM4EHSD17B10GAAALDH1A1GLA
SCHEMBL27755305 0.75 ALDH1A1 (0.50) KDM4EHSD17B10SERPINE1GAAALDH1A1
SCHEMBL7858859 0.75 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCNR1CNR2

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 17 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-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
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 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
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 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 (5 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 KDM4E 4053/4885HSD17B10 570/4885SERPINE1 2014/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 KDM4E 4053/4885HSD17B10 570/4885SERPINE1 2014/4885
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 KDM4E 4053/4885HSD17B10 570/4885SERPINE1 2014/4885
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 KDM4E 4053/4885HSD17B10 570/4885SERPINE1 2014/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 KDM4E 4053/4885HSD17B10 570/4885SERPINE1 2014/4885

“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.