SCHEMBL390750

SCHEMBL390750

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
HDAC1 Q13547 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
LTA4H P09960 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL392184 0.96 ALDH1A1 (0.49) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL392903 0.94 ALDH1A1 (0.47) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL9684805 0.94 ALDH1A1 (0.47) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL391715 0.91 ALDH1A1 (0.53) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL393422 0.88 HTT (0.52) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL16306384 0.86 ALDH1A1 (0.46) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL1225570 0.85 ALDH1A1 (0.49) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL7367495 0.85 ALDH1A1 (0.58) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL389007 0.84 HTT (0.51) ALDH1A1CCR6PAX8F13A1TGM2
SCHEMBL1897393 0.84 CCR6 (0.51) ALDH1A1CCR6PAX8F13A1TGM2

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
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
CN-105377848-A Prodrug derivatives of substituted triazolopyridines Bayer Pharma AG 2016-03-02 CN disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO 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
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-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS 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-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

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-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES TK1, PNKP, MPST ALDH1A1 2459/4885CCR6 3038/4885PAX8 4695/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP ALDH1A1 1220/4885CCR6 4038/4885PAX8 4517/4885

“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.