SCHEMBL13668941

SCHEMBL13668941

Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Cc1onc(C)c1Cl)OCO2

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.72
▸ EDNRB P24530 19/20 0.72
▸ ABCC3 O15438 1/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ PDE4A P27815 1/20 0.72

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
Sitaxentan SCHEMBL803344 0.84 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL29372653 0.84 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL4142779 0.83 EDNRA (0.98) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933796 0.83 EDNRA (0.85) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan Sodium SCHEMBL29357410 0.83 EDNRA (0.69) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL8555870 0.80 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933822 0.79 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933749 0.79 EDNRA (0.90) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933800 0.79 EDNRA (0.79) EDNRAEDNRBABCC3ABCC4ABCB11
Sitaxentan SCHEMBL12933770 0.79 EDNRA (0.90) EDNRAEDNRBABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549926-B2 Compositions and methods of treating pulmonary hypertension GILEAD SCIENCES, INC. (US) 2017-01-24 — — US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 — — US disclosed
US-20140275098-A1 COMPOSITIONS AND METHODS OF TREATING PULMONARY HYPERTENSION GILEAD SCIENCES, INC. (US) 2014-09-18 — — US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 — — US disclosed
US-20120083447-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERSITY (US) 2012-04-05 — — US disclosed
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis GULATI ANIL (US) 2012-03-22 — — US disclosed
US-7973064-B2 Administering to a mammal therapeutically effective amount of opiate analgesic and endothelin antagonist for therapy and prophylaxis of pain THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-07-05 — — US disclosed
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-09 — — US disclosed
US-20090263472-A1 ENDOTHELIN RECEPTOR ANTAGONIST DERIVATIVES NICOX S.A. (FR) 2009-10-22 — — 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 (6 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-20120083447-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRA 141/4885EDNRB 148/4885ABCC3 1702/4885
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis EDNRB, EGLN3, BDKRB2 EDNRA 4/4885EDNRB 1/4885ABCC3 2893/4885
US-20090263472-A1 ENDOTHELIN RECEPTOR ANTAGONIST DERIVATIVES EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885ABCC3 1261/4885
US-20140275098-A1 COMPOSITIONS AND METHODS OF TREATING PULMONARY HYPERTENSION PDE3A, PDE3B, PDE5A EDNRA 18/4885EDNRB 12/4885ABCC3 2268/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT EDNRA 11/4885EDNRB 7/4885ABCC3 1440/4885
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 EDNRA 6/4885EDNRB 8/4885ABCC3 2300/4885

“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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