SCHEMBL392183

SCHEMBL392183

O=C(Cl)CCCCC(Cc1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.44
HDAC1 Q13547 2/20 0.43
CTRB1 P17538 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MC4R P32245 1/20 0.40
MC3R P41968 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
SCHEMBL392902 0.99 MME (0.43) MMEHDAC1CTRB1CTSGCMA1
SCHEMBL390749 0.95 MME (0.45) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL391714 0.89 MME (0.50) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL21628079 0.89 MME (0.50) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL18007051 0.83 SIGMAR1 (0.50) MMEHDAC1CTRB1CTSGCMA1
SCHEMBL15796346 0.82 MMP1 (0.47) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL16009906 0.78 CYP3A4 (0.51) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL23151852 0.77 MME (0.50) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL23151853 0.77 MME (0.50) MMECTRB1CYP3A4MAPK1NPC1
SCHEMBL2098698 0.76 SIGMAR1 (0.53) MMEHDAC1CTRB1CYP3A4MAPK1

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 8 patents. 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-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
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MME 345/4885HDAC1 1296/4885CTRB1 1386/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT MME 1055/4885HDAC1 1166/4885CTRB1 1419/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP MME 345/4885HDAC1 1296/4885CTRB1 1386/4885

“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.