SCHEMBL1098089

SCHEMBL1098089

CCOC(=O)c1cccc(OCc2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPD P32754 1/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47
PPIA P62937 1/20 0.47
PTGER1 P34995 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
NR4A2 P43354 1/20 0.45
PPARA Q07869 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1097553 0.90 PPIA (0.56) L3MBTL1MAPK1NPSR1ALDH1A1CYP3A4
SCHEMBL1097113 0.89 MAOB (0.44) KMT2AMEN1PPIAPTGER1MRGPRX4
SCHEMBL1097733 0.88 MAOB (0.53) MAPK1KMT2AMEN1MRGPRX4NR4A2
SCHEMBL1097626 0.87 PPIA (0.48) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL1097820 0.86 PTGER1 (0.53) L3MBTL1NPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL1098235 0.85 PPIA (0.44) ALDH1A1KDM4EKMT2APPIAPTGER1
SCHEMBL1097118 0.83 MRGPRX4 (0.50) ALDH1A1KMT2AMEN1PPIAPTGER1
SCHEMBL2250455 0.82 SMN1; SMN2 (0.49) MAPK1NPSR1ALDH1A1KDM4EPOLB
SCHEMBL1097754 0.81 MAOB (0.57) MAPK1NPSR1HPDKDM4EPPIA
SCHEMBL1097783 0.81 MRGPRX4 (0.53) KDM4EPOLBPPIAMRGPRX4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2019-08-20 US disclosed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP disclosed
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
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP disclosed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP 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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2014-03-13 US disclosed
US-8614328-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-12-24 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
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP 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
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4427/4885MAPK1 4620/4885NPSR1 1694/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4427/4885MAPK1 4620/4885NPSR1 1694/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4427/4885MAPK1 4620/4885NPSR1 1694/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4427/4885MAPK1 4620/4885NPSR1 1694/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4427/4885MAPK1 4620/4885NPSR1 1694/4885
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 L3MBTL1 4432/4885MAPK1 4615/4885NPSR1 1759/4885

“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.