SCHEMBL2352546

SCHEMBL2352546

COC(=O)C(Oc1nc(C)cc(C)n1)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 16/20 0.81
▸ EDNRA P25101 16/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ KCNE1 P15382 1/20 0.81
▸ KCNQ1 P51787 1/20 0.81
▸ POLB P06746 1/20 0.81
▸ IL36G Q9NZH8 1/20 0.58
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL2356501 1.00 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15991881 0.90 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL10316292 0.90 EDNRB (0.66) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL10316295 0.90 EDNRB (0.70) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3679 0.90 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3023434 0.90 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL20769813 0.90 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL138157 0.90 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3714106 0.87 EDNRB (0.72) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3714105 0.87 EDNRB (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-110437063-B Preparation method of ambrisentan key intermediate 常州恒邦药业有限公司 2022-04-29 — — CN disclosed
EP-2118073-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-11-18 — — EP 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 (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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 649/4885

“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.

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