SCHEMBL1107962

SCHEMBL1107962

C=C1CCC(N2C(=O)c3cccc(OCc4ccc(OC)cc4)c3C2=O)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 17/20 0.58
DDB1 Q16531 13/20 0.58
IKZF3 Q9UKT9 7/20 0.55
HDAC8 Q9BY41 1/20 0.47
TNF P01375 2/20 0.44
IL1B P01584 1/20 0.44
TBXA2R P21731 1/20 0.44
IKZF1 Q13422 1/20 0.44
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL10168380 0.91 CRBN (0.56) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL1096542 0.91 CRBN (0.71) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL10168346 0.90 CRBN (0.61) CRBNDDB1IKZF3TNFIL1B
SCHEMBL16768403 0.89 CRBN (0.57) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL10168342 0.89 CRBN (0.62) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL10168460 0.88 DDB1 (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168347 0.87 CRBN (0.56) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL10168355 0.87 CRBN (0.56) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL10168376 0.85 CRBN (0.58) CRBNDDB1IKZF3HDAC8TNF
SCHEMBL15502703 0.85 DDB1 (0.61) CRBNDDB1IKZF3TNFIL1B

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 10 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
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 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 (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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR CRBN 869/4885DDB1 820/4885IKZF3 355/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 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.