Brefeldin A

Brefeldin A

SCHEMBL12648486

C[C@H]1CCC/C=C/C2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
LMNA P02545 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
PRNP P04156 2/20 1.00
HTT P42858 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
THRB P10828 1/20 1.00
NR0B1 P51843 1/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
HIF1A Q16665 1/20 1.00
GMNN O75496 1/20 0.54
MTOR P42345 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38

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
Brefeldin A SCHEMBL4967925 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL30460472 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL17167480 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL30460466 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL29268 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL13073124 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL4967944 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL4345242 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL8264765 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP
Brefeldin A SCHEMBL26040278 1.00 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2PRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940188-B2 Compounds and methods for treatment and prevention of Flavivirus infection FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-03-09 US disclosed
US-20200164051-A1 COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION ACER THERAPEUTICS INC. 2020-05-28 US disclosed
US-20180015153-A1 COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2018-01-18 US disclosed
US-20180015153-A1 COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2018-01-18 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-1485707-B1 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS CAPROTEC BIOANALYTICS GMBH (DE) 2009-01-14 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 (4 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-20200164051-A1 COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION CDK2, CDKN1A, PSENEN NPC1 1989/4885RAB9A 1540/4885LMNA 97/4885
US-10940188-B2 Compounds and methods for treatment and prevention of Flavivirus infection CDK2, CDKN1A, PSENEN NPC1 1989/4885RAB9A 1540/4885LMNA 97/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS NPC1 4421/4885RAB9A 2541/4885LMNA 2156/4885
US-20180015153-A1 COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION CDK2, CDKN1A, PSENEN NPC1 1989/4885RAB9A 1540/4885LMNA 97/4885

“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.