SCHEMBL12933877

SCHEMBL12933877

[2H]C([2H])([2H])C(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C([2H])([2H])[2H]

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.82
EDNRB P24530 2/20 0.66

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
SCHEMBL12933899 0.97 EDNRA (0.79) EDNRAEDNRB
SCHEMBL12933883 0.97 EDNRA (0.88) EDNRAEDNRB
SCHEMBL12933846 0.96 EDNRA (0.90) EDNRAEDNRB
SCHEMBL12933903 0.95 EDNRA (0.75) EDNRAEDNRB
SCHEMBL12933900 0.95 EDNRA (0.82) EDNRAEDNRB
SCHEMBL12933889 0.94 EDNRA (0.72) EDNRAEDNRB
SCHEMBL12933916 0.94 EDNRA (0.72) EDNRAEDNRB
SCHEMBL12933850 0.93 EDNRA (0.85) EDNRAEDNRB
SCHEMBL12933901 0.93 EDNRA (0.79) EDNRAEDNRB
SCHEMBL12933896 0.92 EDNRA (0.70) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863308-B2 Substituted thiophenes AUSPEX PHARMACEUTICALS, INC. (US) 2011-01-04 US disclosed
US-20100280086-A1 SUBSTITUTED THIOPHENES AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-16 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-20100280086-A1 SUBSTITUTED THIOPHENES EDNRB, ECE1, EDNRA EDNRA 3/4885EDNRB 1/4885
US-20080255036-A1 Deuterated thiophene derivatives such as d2-2-[2-(6-methyl-benzo[1,3]dioxol-5-yl)-acetyl]-thiophene-3-sulfonic acid (4-chloro-3-methyl-isoxazol-5-yl)-amide; for modulating endothelin receptors; for treating, preventing, or ameliorating one or more symptoms of an endothelin-mediated disorder EDNRA, EDNRB, TBXA2R EDNRA 1/4885EDNRB 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.