SCHEMBL393336

SCHEMBL393336

COc1ccc(CN(CCCCC(=O)Cl)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LPAR1 Q92633 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
ALOX5 P09917 1/20 0.46
LPAR5 Q9H1C0 1/20 0.45
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL393311 0.99 TSHR (0.47) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL392054 0.97 TSHR (0.49) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL391872 0.91 TSHR (0.50) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL16295819 0.87 TSHR (0.51) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL16306415 0.85 TSHR (0.49) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL8030776 0.85 CCR6 (0.54) TSHRLPAR1TDP1CCR6PAX8
SCHEMBL3075203 0.84 ACHE (0.52) TSHRLPAR1TDP1ALOX5LPAR5
SCHEMBL4668991 0.83 TSHR (0.54) TSHRLPAR1TDP1ALOX5LPAR5
SCHEMBL393867 0.83 TSHR (0.47) TSHRLPAR1TDP1ALOX5LPAR5
SCHEMBL3814940 0.83 ACHE (0.54) TSHRLPAR1TDP1ALOX5LPAR5

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 US disclosed
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 US disclosed
US-8334284-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-18 US disclosed
EP-2084154-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER IP GMBH (DE) 2012-11-21 EP disclosed
EP-2084154-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER IP GMBH (DE) 2012-11-21 EP disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
EP-2209776-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDER Bayer Schering Pharma AG (DE) 2010-07-28 EP disclosed
EP-2084154-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-05 EP disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO disclosed
WO-2007093328-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER HEALTHCARE AG (DE) 2007-08-23 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP TSHR 3674/4885LPAR1 3439/4885TDP1 619/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT TSHR 2106/4885LPAR1 3822/4885TDP1 555/4885

“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.