SCHEMBL1669592

SCHEMBL1669592

CC(N)C(C(=O)O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 1/20 0.47
PNMT P11086 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
CXCL8 P10145 2/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACP3 P15309 1/20 0.41
AOC3 Q16853 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
KIF11 P52732 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL1667578 0.86 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL30180175 0.85 CXCL8 (0.47) CYP2D6ALDH1A1CXCL8MEN1KMT2A
SCHEMBL1895295 0.85 CXCL8 (0.47) CYP2D6ALDH1A1CXCL8MEN1KMT2A
SCHEMBL23886481 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL23886478 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL23886598 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL30370722 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL23886475 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL23886958 0.84 CXCL8 (0.46) CYP2D6NFKB1ALDH1A1CXCL8MEN1
SCHEMBL1666944 0.80 ACP3 (0.42) CYP1A2CYP2D6ALDH1A1LMNAMEN1

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 14 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
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 CYP1A2 4867/4885CYP3A4 4861/4885CYP2D6 4752/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD CYP1A2 4822/4885CYP3A4 4742/4885CYP2D6 4288/4885

“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.