SCHEMBL795587

SCHEMBL795587

COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.78
EDNRA P25101 12/20 0.67
CCR4 P51679 7/20 0.54

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
SCHEMBL7363876 0.93 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7358242 0.90 ABCB11 (0.81) ABCB11EDNRACCR4
SCHEMBL7395016 0.90 ABCB11 (0.72) ABCB11EDNRACCR4
SCHEMBL803053 0.90 ABCB11 (0.72) ABCB11EDNRACCR4
SCHEMBL7357895 0.89 ABCB11 (0.79) ABCB11EDNRACCR4
SCHEMBL7939674 0.89 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7365895 0.89 ABCB11 (0.78) ABCB11EDNRACCR4
SCHEMBL7362617 0.88 ABCB11 (0.77) ABCB11EDNRACCR4
SCHEMBL7395488 0.88 ABCB11 (0.69) ABCB11EDNRACCR4
SCHEMBL7366024 0.88 ABCB11 (1.00) ABCB11EDNRACCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 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-8410148-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-02 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-8114896-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-14 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-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 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 (9 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 ABCB11 2505/4885EDNRA 141/4885CCR4 1711/4885
US-20120070513-A1 Method and Composition for Treating Diabetic Ketoacidosis EDNRB, EGLN3, BDKRB2 ABCB11 2578/4885EDNRA 4/4885CCR4 2254/4885
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT ABCB11 2585/4885EDNRA 11/4885CCR4 3329/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 ABCB11 1439/4885EDNRA 6/4885CCR4 1080/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 ABCB11 2091/4885EDNRA 11/4885CCR4 2529/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT ABCB11 2585/4885EDNRA 11/4885CCR4 3329/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT ABCB11 2585/4885EDNRA 11/4885CCR4 3329/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 ABCB11 2505/4885EDNRA 141/4885CCR4 1711/4885
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 ABCB11 1439/4885EDNRA 6/4885CCR4 1080/4885

“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.