SCHEMBL1666938

SCHEMBL1666938

CCC(C(=O)O)c1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.47
AKR1C2 P52895 9/20 0.47
AKR1C1 Q04828 1/20 0.47
PTGS1 P23219 1/20 0.47
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.43
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
ENPP2 Q13822 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
NOS3 P29474 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41

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
Benzylamine SCHEMBL726584 0.90 POLB (0.53) LOXL2POLBALDH1A1SMN1; SMN2
SCHEMBL4389616 0.88 NOS1 (0.45) AKR1C3AKR1C2AKR1C1PTGS1CPN1
SCHEMBL28263298 0.87 EPHX1 (0.47) LOXL2POLBNOS1NOS2ENPP2
SCHEMBL27854444 0.85 CPN1 (0.46) CPN1CPB2LOXL2POLBENPP2
SCHEMBL2891180 0.84 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1CPN1
SCHEMBL27987931 0.83 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1LOXL2
SCHEMBL21609292 0.83 PTGS1 (0.49) AKR1C3AKR1C2AKR1C1PTGS1CPN1
SCHEMBL4390456 0.83 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1CPN1
SCHEMBL31477054 0.83 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1CPN1
SCHEMBL289355 0.80 PPARA (0.50) AKR1C3AKR1C2AKR1C1ALDH1A1

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
CN-1729158-A Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN claimed
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 AKR1C3 4565/4885AKR1C2 4547/4885AKR1C1 4593/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD AKR1C3 4171/4885AKR1C2 4242/4885AKR1C1 4363/4885

“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.