SCHEMBL392903

SCHEMBL392903

CN(CCCCCC(=O)Cl)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 3/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9684805 1.00 ALDH1A1 (0.47) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL392184 0.99 ALDH1A1 (0.49) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL390750 0.94 ALDH1A1 (0.50) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL28002371 0.89 HTT (0.50) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL392019 0.89 HTT (0.50) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL391715 0.89 ALDH1A1 (0.53) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL389007 0.87 HTT (0.51) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL21235957 0.86 CCR6 (0.48) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL132476 0.85 ABCB1 (0.49) ALDH1A1BCHEACHECCR6PAX8
SCHEMBL9232890 0.85 ABCB1 (0.49) ALDH1A1BCHEACHECCR6PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101384585-B Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER HEALTHCARE AG 2012-09-26 CN 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-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 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-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 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-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
CN-101730695-A Aminoacyl prodrugs as an active pharmaceutical ingredient for thromboembolic disorders BAYER HEALTHCARE AG 2010-06-09 CN disclosed
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
CN-101384585-A Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER HEALTHCARE AG (DE) 2009-03-11 CN disclosed
WO-2009007028-A1 PRODRUG DERIVATIVES OF 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007028-A1 PRODRUG DERIVATIVES OF 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE 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-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP ALDH1A1 1220/4885BCHE 1269/4885ACHE 2072/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP ALDH1A1 1220/4885BCHE 1269/4885ACHE 2072/4885

“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.