SCHEMBL391872

SCHEMBL391872

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
CCR6 P51684 1/20 0.49
PAX8 Q06710 1/20 0.49
ALOX5 P09917 2/20 0.48
USP2 O75604 1/20 0.48
LPAR1 Q92633 4/20 0.47
LPAR5 Q9H1C0 1/20 0.47
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
FFAR1 O14842 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL16295819 0.96 TSHR (0.51) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL393336 0.91 TSHR (0.48) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL393311 0.90 TSHR (0.47) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL8030776 0.87 CCR6 (0.54) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL16306415 0.87 TSHR (0.49) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL392054 0.87 TSHR (0.49) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL4668991 0.85 TSHR (0.54) TSHRTDP1ALOX5LPAR1LPAR5
SCHEMBL16272906 0.85 TSHR (0.49) TSHRTDP1CCR6PAX8ALOX5
SCHEMBL389034 0.84 TSHR (0.55) TSHRTDP1USP2LPAR1LPAR5
SCHEMBL393788 0.83 TSHR (0.49) TSHRTDP1ALOX5USP2LPAR1

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 13 patents. 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-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
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 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-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 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 (5 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 3674/4885TDP1 619/4885CCR6 4038/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT TSHR 3848/4885TDP1 609/4885CCR6 4647/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT TSHR 2106/4885TDP1 555/4885CCR6 3955/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP TSHR 3674/4885TDP1 619/4885CCR6 4038/4885
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders AADAC, AADAT, DNPEP TSHR 3078/4885TDP1 765/4885CCR6 4111/4885

“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.