SCHEMBL235261

SCHEMBL235261

CC(O)NCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
PTPRC P08575 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DGAT1 O75907 1/20 0.34
CTSK P43235 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1508734 0.85 CYP2D6 (0.42) CYP2D6CA2CA1CA7PTPRC
SCHEMBL18362416 0.82 CYP2D6 (0.37) CYP2D6CA2CA1CA7PTPRC
SCHEMBL24269352 0.82 CYP2D6 (0.44) CYP2D6CA2CA1CA7PTPRC
SCHEMBL2407746 0.80 CYP2D6 (0.39) CYP2D6CA2CA1CA7PTPRC
SCHEMBL1339541 0.80 CYP2D6 (0.39) CYP2D6CA2CA1CA7PTPRC
SCHEMBL23001613 0.80 CYP2D6 (0.39) CYP2D6CA2CA1CA7PTPRC
SCHEMBL2317242 0.80 CYP2D6 (0.39) CYP2D6CA2CA1CA7PTPRC
SCHEMBL7431200 0.79 CA14 (0.46) CYP2D6CA2CA1CA7PTPRC
SCHEMBL4095492 0.79 CA14 (0.46) CYP2D6CA2CA1CA7PTPRC
SCHEMBL8644151 0.79 CYP2D6 (0.38) CYP2D6CA2CA1CA7PTPRC

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-10-15 US disclosed
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 US disclosed
EP-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 EP disclosed
US-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. 2018-07-12 US disclosed
US-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2018-04-26 US disclosed
US-20170368194-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2017-12-28 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140378414-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2014-12-25 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY GLUCKSMANN ALEXANDRA (US) 2012-08-09 US disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 US disclosed
WO-2011090940-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-07-28 WO disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
EP-2298356-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2011-03-23 EP 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 (15 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-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CYP2D6 3781/4885CA2 3503/4885CA1 1581/4885
US-20170368194-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP2D6 1989/4885CA2 2610/4885CA1 1317/4885
US-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP2D6 4301/4885CA2 1741/4885CA1 321/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP2D6 1989/4885CA2 2610/4885CA1 1317/4885
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CYP2D6 3781/4885CA2 3503/4885CA1 1581/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CYP2D6 3781/4885CA2 3503/4885CA1 1581/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP2D6 4301/4885CA2 1741/4885CA1 321/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP2D6 2180/4885CA2 1682/4885CA1 713/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP2D6 4301/4885CA2 1741/4885CA1 321/4885
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CYP2D6 3781/4885CA2 3503/4885CA1 1581/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP2D6 1989/4885CA2 2610/4885CA1 1317/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP2D6 2180/4885CA2 1682/4885CA1 713/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP2D6 1989/4885CA2 2610/4885CA1 1317/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP2D6 1989/4885CA2 2610/4885CA1 1317/4885
US-20140378414-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 CYP2D6 3781/4885CA2 3503/4885CA1 1581/4885

“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.