SCHEMBL1666946

SCHEMBL1666946

CC(N)C(C)(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
KIF11 P52732 10/20 0.45
HIF1A Q16665 2/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 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
SCHEMBL3304253 0.83 CYP1A2 (0.57) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL60359 0.83 CYP1A2 (0.52) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL28727574 0.82 CYP1A2 (0.55) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL28727642 0.82 CYP1A2 (0.55) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL10445349 0.80 CYP2D6 (0.48) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL5165367 0.80 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL17065513 0.80 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL28393924 0.79 CYP1A2 (0.47) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL6449832 0.78 CYP2D6 (0.47) CYP1A2CYP2D6MAPTKMT2AHIF1A
SCHEMBL1667166 0.78 CYP1A2 (0.55) CYP1A2CYP2D6MAPTKMT2AKIF11

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
WO-2011038469-A1 SUPPRESSIVE AGENTS PRINCE HENRY'S INSTITUTE OF MEDICAL RESEARCH (AU) 2011-04-07 WO disclosed
WO-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 WO disclosed
WO-2010022444-A1 METHODS AND AGENTS FOR MODULATING KINASE SIGNALLING PATHWAYS THROUGH MODULATION OF MIXED-LINEAGE KINASE DOMAIN-LIKE PROTEIN (MLKL) THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-03-04 WO disclosed
US-20090215669-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2009-08-27 US disclosed
WO-2009021289-A1 POTASSIUM CHANNEL INHIBITORS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-02-19 WO disclosed
EP-1962882-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES Dia-B Tech Limited (AU) 2008-09-03 EP disclosed
WO-2008025069-A1 METHODS OF MODULATING CELLULAR ACTIVITY AND COMPOSITIONS THEREFOR THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-03-06 WO disclosed
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-08-23 US disclosed
WO-2007059569-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETES DIA-B TECH LIMITED (AU) 2007-05-31 WO disclosed
EP-1781689-A1 CONJUGATES AND THERAPEUTIC USES THEREOF The Walter and Eliza Hall Institute of Medical Research (AU) 2007-05-09 EP disclosed
WO-2007025332-A1 A PEPTIDE AND ZINC ION COMPOSITION FOR TREATING DIABETES AND ENHANCING IMMUNE FUNCTION DIA-B TECH LIMITED (AU) 2007-03-08 WO disclosed
US-20070032417-A1 Peptides and therapeutic uses thereof WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-02-08 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2006000034-A1 CONJUGATES AND THERAPEUTIC USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-05 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 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 (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-20070032417-A1 Peptides and therapeutic uses thereof BCL2, BAX, BCL2L13 CYP1A2 4867/4885CYP2D6 4752/4885MAPT 3444/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD CYP1A2 4822/4885CYP2D6 4288/4885MAPT 2294/4885

“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.