SCHEMBL1097907

SCHEMBL1097907

COc1ccccc1Oc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KMT2A Q03164 2/20 0.49
CDC25B P30305 1/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46

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
SCHEMBL6003587 0.91 HTT (0.59) HTTCA12CA1CA2CA7
SCHEMBL383873 0.88 CA12 (0.77) HTTCA12CA1CA2CA7
SCHEMBL29547019 0.88 CA12 (0.77) HTTCA12CA1CA2CA7
SCHEMBL143861 0.88 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL29395127 0.88 HTT (0.53) HTTCA12CA1CA2CA7
SCHEMBL3384527 0.86 HTT (1.00) HTTCA12CA1CA2CA7
SCHEMBL28260571 0.86 HTT (0.62) HTTCA12CA1CA2CA7
Water SCHEMBL7618236 0.86 HTT (0.52) HTTCA12CA1CA2CA7
SCHEMBL11066360 0.85 CTNNB1 (0.54) HTTCA12CA1CA2CA7
SCHEMBL1096259 0.84 HTT (0.57) HTTCA12CA1CA2CA7

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 HTT 1607/4885CA12 1979/4885CA1 1008/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 HTT 1607/4885CA12 1979/4885CA1 1008/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 HTT 1607/4885CA12 1979/4885CA1 1008/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 HTT 1607/4885CA12 1979/4885CA1 1008/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 HTT 1607/4885CA12 1979/4885CA1 1008/4885
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 HTT 1751/4885CA12 1971/4885CA1 982/4885

“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.