SCHEMBL3232307

SCHEMBL3232307

[2H]C([2H])([2H])C(c1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(Cl)c2Oc2ccccc2OC)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.64
EDNRB P24530 13/20 0.64
ABCC3 O15438 1/20 0.64
ABCC4 O15439 1/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
DHPS P49366 1/20 0.64
NR1H3 Q13133 1/20 0.64
NR1I3 Q14994 1/20 0.64

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
SCHEMBL13430586 0.96 EDNRA (0.61) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL29770411 0.94 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL617288 0.94 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL5686011 0.93 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL625550 0.93 EDNRA (0.71) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL13430582 0.91 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1259727 0.88 EDNRA (0.69) EDNRAEDNRB
SCHEMBL16900663 0.87 EDNRA (0.70) EDNRAEDNRB
SCHEMBL1938981 0.87 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7293756 0.86 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080549-B2 Endothelin receptor antagonists CONCERT PHARMACEUTICALS, INC. (US) 2011-12-20 US disclosed
US-20100063076-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2010-03-11 US disclosed
US-20100063076-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2010-03-11 US disclosed
US-20090005394-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-01-01 US 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 (2 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-20100063076-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885ABCC3 2047/4885
US-20090005394-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885ABCC3 1063/4885

“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.