SCHEMBL571027

SCHEMBL571027

COC(=O)C(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
SCHEMBL2354447 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104515816-B The detection method of a kind of ambrisentan raw material and preparation related substance TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2016-04-20 CN claimed
CN-104515816-A Detection method of substances relative to raw material and preparation of ambrisentan TIANJIN INST PHARM RESEARCH 2015-04-15 CN claimed
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
CN-104592129-B A kind of improved method for preparing ambrisentan 武汉启瑞药业有限公司 2019-04-16 CN disclosed
CN-104693027-B A kind of method synthesizing 2-hydroxyl-3-alkoxyl propionic ester compounds 天津药物研究院 2016-06-22 CN disclosed
CN-104515816-B The detection method of a kind of ambrisentan raw material and preparation related substance TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2016-04-20 CN disclosed
CN-104693027-A Method for synthesizing 2-hydroxy-3-alkoxy propionate compounds TIANJIN INST PHARM RESEARCH 2015-06-10 CN disclosed
CN-104592129-A Improved method used for preparing ambrisentan QR PHARMACEUTICALS LTD 2015-05-06 CN disclosed
CN-103012280-B Method for preparing ambrisentan JIANGSU KANION PHARMACEUTICAL 2015-04-29 CN disclosed
CN-104515816-A Detection method of substances relative to raw material and preparation of ambrisentan TIANJIN INST PHARM RESEARCH 2015-04-15 CN disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0892788-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1997038982-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed
EP-0785926-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-30 EP disclosed
WO-1996011914-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-25 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 (1 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-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists EDNRA, EDNRB, ECE1 KMT2A 3733/4885KCNN4 844/4885EDNRB 2/4885

“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.