SCHEMBL464479

SCHEMBL464479

CNCCCCCCC1(C)OB(C(CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)OC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.62
PSMB5 P28074 15/20 0.60
PSMB1 P20618 11/20 0.54
PSMB2 P49721 10/20 0.54
PSMB11 A5LHX3 9/20 0.54
PSMA7 O14818 9/20 0.54
PSMA1 P25786 9/20 0.54
PSMA2 P25787 9/20 0.54
PSMA3 P25788 9/20 0.54
PSMA4 P25789 9/20 0.54
PSMB8 P28062 9/20 0.54
PSMB9 P28065 9/20 0.54
PSMA5 P28066 9/20 0.54
PSMB4 P28070 9/20 0.54
PSMB6 P28072 9/20 0.54
PSMB10 P40306 9/20 0.54
PSMB3 P49720 9/20 0.54
PSMA6 P60900 9/20 0.54
PSMA8 Q8TAA3 9/20 0.54
PSMB7 Q99436 9/20 0.54

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
SCHEMBL20093557 1.00 ERBB2 (0.62) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL14754702 1.00 ERBB2 (0.62) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL13130797 1.00 ERBB2 (0.62) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL20093552 0.92 PSMB5 (0.61) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL464482 0.92 PSMB5 (0.61) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL13130798 0.92 PSMB5 (0.61) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL6859224 0.88 PSMB5 (0.69) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL14712359 0.85 PSMB5 (0.56) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL12180817 0.85 PSMB5 (0.56) ERBB2PSMB5PSMB1PSMB2PSMB11
SCHEMBL13130829 0.83 PSMB5 (0.56) ERBB2PSMB5PSMB1PSMB2PSMB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 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
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-2011146638-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2011-11-24 WO disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 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-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 ERBB2 1529/4885PSMB5 18/4885PSMB1 6/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 ERBB2 1529/4885PSMB5 18/4885PSMB1 6/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ERBB2 1487/4885PSMB5 1149/4885PSMB1 1846/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC ERBB2 2380/4885PSMB5 1902/4885PSMB1 2386/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP ERBB2 4032/4885PSMB5 650/4885PSMB1 1054/4885

“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.