SCHEMBL2354447

SCHEMBL2354447

COC(=O)[C@@H](O)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KCNN4 O15554 1/20 0.47
EDNRB P24530 10/20 0.44
EDNRA P25101 10/20 0.44
NR1I2 O75469 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
POLB P06746 1/20 0.44
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.42
KIF11 P52732 1/20 0.40
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL571027 1.00 KMT2A (0.47) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL27805427 0.91 EDNRB (0.44) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL4434013 0.90 KMT2A (0.42) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL27805325 0.87 CTSG (0.42) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL27783661 0.87 EDNRB (0.50) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL570417 0.85 EDNRB (0.50) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL570658 0.85 EDNRB (0.50) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL1067633 0.85 EDNRB (0.50) KMT2AKCNN4EDNRBEDNRANR1I2
SCHEMBL15991494 0.85 EDNRB (0.46) KMT2AEDNRBEDNRANR1I2KCNE1
SCHEMBL28101975 0.85 EDNRB (0.46) KMT2AEDNRBEDNRANR1I2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404840-B2 Process for the preparation of endothelin receptor antagonists MSN LABORATORIES LIMITED (IL) 2013-03-26 US claimed
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 US claimed
EP-2350024-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN Laboratories Limited (IN) 2011-08-03 EP claimed
WO-2010070658-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN LABORATORIES LIMITED (IN) 2010-06-24 WO claimed
US-20140256004-A1 Process for the Preparation of an Endothelin Receptor Antagonist CIPLA LIMITED (IN) 2014-09-11 US disclosed
EP-2768811-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN RECEPTOR ANTAGONIST Cipla Limited (IN) 2014-08-27 EP disclosed
WO-2013057468-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN RECEPTOR ANTAGONIST CIPLA LIMITED (IN) 2013-04-25 WO disclosed
WO-2013057468-A1 PROCESS FOR THE PREPARATION OF AN ENDOTHELIN RECEPTOR ANTAGONIST CIPLA LIMITED (IN) 2013-04-25 WO disclosed
US-8404840-B2 Process for the preparation of endothelin receptor antagonists MSN LABORATORIES LIMITED (IL) 2013-03-26 US disclosed
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 US disclosed
EP-2350024-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN Laboratories Limited (IN) 2011-08-03 EP disclosed
WO-2010070658-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN LABORATORIES LIMITED (IN) 2010-06-24 WO disclosed
EP-2118073-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-11-18 EP disclosed
US-20090069353-A1 DEUTERIUM-ENRICHED AMBRISENTAN PROTIA, LLC (US) 2009-03-12 US disclosed
US-20090069353-A1 DEUTERIUM-ENRICHED AMBRISENTAN PROTIA, LLC (US) 2009-03-12 US disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008097468-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-08-14 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 (4 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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 KMT2A 2669/4885KCNN4 1731/4885EDNRB 2/4885
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists EDNRA, EDNRB, ECE1 KMT2A 3733/4885KCNN4 844/4885EDNRB 2/4885
US-20140256004-A1 Process for the Preparation of an Endothelin Receptor Antagonist EDNRB, EDNRA, AGTR1 KMT2A 2150/4885KCNN4 1567/4885EDNRB 1/4885
US-20090069353-A1 DEUTERIUM-ENRICHED AMBRISENTAN AVPR2, MC2R, AVPR1A KMT2A 2080/4885KCNN4 877/4885EDNRB 104/4885

“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.