SCHEMBL1669596

SCHEMBL1669596

NC(CCCc1ccccc1)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.60
S1PR1 P21453 2/20 0.60
GRIK1 P39086 1/20 0.55
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR3 Q99500 1/20 0.53

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
SCHEMBL27453353 1.00 S1PR2 (0.60) S1PR2S1PR1GRIK1HDAC3MAPK1
SCHEMBL6049800 0.95 S1PR2 (0.63) S1PR2S1PR1GRIK1HDAC3MAPK1
SCHEMBL288680 0.89 S1PR2 (0.64) S1PR2S1PR1HDAC3MAPK1ADRA1A
SCHEMBL2029005 0.89 S1PR2 (0.64) S1PR2S1PR1HDAC3MAPK1ADRA1A
SCHEMBL45498 0.89 S1PR2 (0.64) S1PR2S1PR1HDAC3MAPK1ADRA1A
SCHEMBL27354346 0.88 GRIK1 (0.54) S1PR2S1PR1GRIK1HDAC3MAPK1
Hydrochloric Acid SCHEMBL1927328 0.87 S1PR2 (0.62) S1PR2S1PR1HDAC3MAPK1ADRA1A
SCHEMBL5866341 0.85 S1PR2 (0.60) S1PR2S1PR1GRIK1HDAC3HDAC4
SCHEMBL4002242 0.84 S1PR2 (0.52) S1PR2S1PR1GRIK1HDAC3MAPK1
SCHEMBL3965958 0.84 S1PR2 (0.52) S1PR2S1PR1GRIK1HDAC3MAPK1

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 18 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-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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
WO-2004058804-A1 PEPTIDES AND THERAPEUTIC USES THEREOF WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2004-07-15 WO disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 S1PR2 4547/4885S1PR1 4528/4885GRIK1 2845/4885
US-20070032417-A1 Peptides and therapeutic uses thereof BCL2, BAX, BCL2L13 S1PR2 3350/4885S1PR1 3505/4885GRIK1 3446/4885
US-20070197430-A1 Conjugates And Therapeutic Uses Thereof BCL2, BAX, BAD S1PR2 2973/4885S1PR1 3310/4885GRIK1 3638/4885
US-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 S1PR2 1899/4885S1PR1 1718/4885GRIK1 4162/4885

“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.