Beauvericin

Beauvericin

SCHEMBL16218239

CC(C)C1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.55
CAPN1 P07384 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
GFER P55789 1/20 0.40
CES2 O00748 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
Beauvericin SCHEMBL22510041 1.00 ABCB1 (0.55) ABCB1CAPN1HDAC6GFERCES2
Beauvericin SCHEMBL29355 1.00 ABCB1 (0.55) ABCB1CAPN1HDAC6GFERCES2
Beauvericin SCHEMBL6452789 1.00 ABCB1 (0.55) ABCB1CAPN1HDAC6GFERCES2
SCHEMBL30932793 1.00 ABCB1 (0.55) ABCB1CAPN1HDAC6GFERCES2
SCHEMBL29519838 1.00 ABCB1 (0.55) ABCB1CAPN1HDAC6GFERCES2
SCHEMBL17520706 0.94 ABCB1 (0.53) ABCB1CAPN1HDAC6GFER
SCHEMBL17520687 0.94 ABCB1 (0.53) ABCB1CAPN1HDAC6GFER
SCHEMBL17520688 0.94 ABCB1 (0.53) ABCB1CAPN1HDAC6GFER
Beauvericin A SCHEMBL30278897 0.92 ABCB1 (0.49) ABCB1HDAC6MMP1MMP3MMP9
SCHEMBL30278900 0.92 ABCB1 (0.49) ABCB1HDAC6MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306068-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-29 US disclosed
US-20150306068-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTH FLORIDA (US) 2015-10-29 US disclosed
US-9114130-B2 Compounds and related methods for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-25 US disclosed
US-9114130-B2 Compounds and related methods for treatment of neurodegenerative diseases UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-25 US disclosed
US-20140329791-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-06 US disclosed
US-20140329791-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTH FLORIDA (US) 2014-11-06 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 (2 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-20140329791-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, PSEN2, PSEN1 ABCB1 1684/4885CAPN1 449/4885HDAC6 52/4885
US-20150306068-A1 COMPOUNDS AND RELATED METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, PSEN2, PSEN1 ABCB1 1684/4885CAPN1 449/4885HDAC6 52/4885

“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.