SCHEMBL6853526

SCHEMBL6853526

Cc1cc(C)nc(O[C@H](C(=O)O)C(CO)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.67
EDNRA P25101 16/20 0.67
NR1I2 O75469 1/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 2/20 0.60

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
SCHEMBL12228355 0.91 EDNRB (0.72) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15998733 0.89 EDNRB (0.56) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL14751497 0.89 EDNRB (0.59) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL12228356 0.85 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL10316293 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4197434 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4197423 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13215612 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL20769813 0.80 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3023434 0.80 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-8962832-B2 Process for the preparation of ambrisentan and novel intermediates thereof CADILA HEALTHCARE LIMITED (IN) 2015-02-24 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 US disclosed
US-20130184490-A1 PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID NATCO PHARMA LIMITED (IN) 2013-07-18 US disclosed
US-8404840-B2 Process for the preparation of endothelin receptor antagonists MSN LABORATORIES LIMITED (IL) 2013-03-26 US disclosed
US-20130060031-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE AMBRISENTAN NATCO PHARMA LIMITED (IN) 2013-03-07 US disclosed
US-20130060031-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE AMBRISENTAN NATCO PHARMA LIMITED (IN) 2013-03-07 US disclosed
US-20120184573-A1 PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2012-07-19 US disclosed
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 US disclosed
WO-2011114338-A1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE AMBRISENTAN NATCO PHARMA LIMITED (IN) 2011-09-22 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-20130060031-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE AMBRISENTAN AGTR2, PDE7A, ACVR1B EDNRB 4/4885EDNRA 10/4885NR1I2 3650/4885
US-20130184490-A1 PROCESS TO PREPARE S-2-HYDROXY-3-METHOXY-3,3-DIPHENYL PROPIONIC ACID PAH, TGFB2, TGFBR2 EDNRB 29/4885EDNRA 26/4885NR1I2 2862/4885
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 2109/4885
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan AKR1D1, AKR1C2, AKR1C1 EDNRB 47/4885EDNRA 30/4885NR1I2 2176/4885
US-20120184573-A1 PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF ACVR1, ACVR1B, CYP11B1 EDNRB 7/4885EDNRA 27/4885NR1I2 2689/4885

“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.