SCHEMBL1107995

SCHEMBL1107995

C=C1CCC(N2C(=O)c3cccc(OCc4cc5ccccc5s4)c3C2=O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 15/20 0.53
CRBN Q96SW2 15/20 0.53
IKZF3 Q9UKT9 4/20 0.45
STAT3 P40763 2/20 0.42
TNF P01375 1/20 0.42
IL1B P01584 1/20 0.42
TBXA2R P21731 1/20 0.42
IKZF1 Q13422 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPT P10636 1/20 0.39
SNCA P37840 1/20 0.39
GSK3B P49841 1/20 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
SCHEMBL1097085 0.91 DDB1 (0.65) DDB1CRBNIKZF3STAT3TNF
SCHEMBL1108004 0.90 DDB1 (0.52) DDB1CRBNIKZF3STAT3TNF
SCHEMBL1107999 0.84 DDB1 (0.55) DDB1CRBNIKZF3STAT3TNF
SCHEMBL1107992 0.83 CRBN (0.52) DDB1CRBNIKZF3STAT3TNF
SCHEMBL21087812 0.83 DDB1 (0.45) DDB1CRBNIKZF3STAT3HCRTR1
SCHEMBL10168355 0.83 CRBN (0.56) DDB1CRBNIKZF3STAT3TNF
SCHEMBL17993372 0.82 DDB1 (0.44) DDB1CRBNIKZF3STAT3TNF
SCHEMBL1107994 0.82 DDB1 (0.53) DDB1CRBNIKZF3STAT3TNF
SCHEMBL10168346 0.82 CRBN (0.61) DDB1CRBNIKZF3STAT3TNF
SCHEMBL15502673 0.81 DDB1 (0.54) DDB1CRBNIKZF3STAT3TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2018-06-07 US disclosed
US-9920027-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2018-03-20 US disclosed
US-RE46639-E1 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-12-19 US disclosed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US disclosed
US-9181216-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-11-10 US disclosed
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2014-10-23 US disclosed
US-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2014-03-13 US disclosed
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2012-06-28 US disclosed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 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 (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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 DDB1 2458/4885CRBN 3542/4885IKZF3 3179/4885
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR DDB1 820/4885CRBN 869/4885IKZF3 355/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 DDB1 2458/4885CRBN 3542/4885IKZF3 3179/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 DDB1 2458/4885CRBN 3542/4885IKZF3 3179/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 DDB1 2458/4885CRBN 3542/4885IKZF3 3179/4885

“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.