SCHEMBL1667437

SCHEMBL1667437

NC(CC(=O)O)C(I)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
MAPT P10636 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 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
SCHEMBL618204 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL10022854 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL618203 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL7876564 0.78 GABBR2 (0.53) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL8655683 0.78 DPP4 (0.42) DPP4F2
SCHEMBL1667061 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL5144343 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1669595 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1666942 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19MAPT
SCHEMBL123765 0.75 GABBR2 (0.59) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2

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 15 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
CN-101365470-A Compositions and methods for treating diabetes DIA B TECH LTD (AU) 2009-02-11 CN 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
WO-2006000034-A1 CONJUGATES AND THERAPEUTIC USES THEREOF THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-05 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 GABBR2 3067/4885GABBR1 3885/4885CYP2C19 4825/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD GABBR2 1705/4885GABBR1 2883/4885CYP2C19 4739/4885

“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.