SCHEMBL802617

SCHEMBL802617

Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 1.00
EDNRA P25101 18/20 1.00

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
SCHEMBL7383296 0.95 EDNRB (0.90) EDNRBEDNRA
SCHEMBL8684553 0.90 EDNRA (0.81) EDNRBEDNRA
SCHEMBL6638622 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6640830 0.85 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6703895 0.83 EDNRA (0.71) EDNRBEDNRA
SCHEMBL6975042 0.80 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8684737 0.79 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6644613 0.79 EDNRB (0.80) EDNRBEDNRA
SCHEMBL6540714 0.77 EDNRA (0.63) EDNRBEDNRA
SCHEMBL26552022 0.77 EDNRA (0.76) EDNRBEDNRA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996618-B1 ENDOTHELIN ANTAGONISTS: N- 2'- (4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'- (3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL MYERS SQUIBB CO (US) 2003-11-12 EP claimed
US-6268388-B1 ADMINISTERING A BIPHENYL SULFONAMIDE BRISTOL-MYERS SQUIBB COMPANY 2001-07-31 US claimed
EP-0996618-A1 ENDOTHELIN ANTAGONISTS: N- 2'- (4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'- (3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-03 EP claimed
EP-0996618-A4 ENDOTHELIN ANTAGONISTS: N- 2'- (4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'- (3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL MYERS SQUIBB CO (US) 2000-05-03 EP claimed
US-6043265-A TREATING HYPERTENSION, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MIGRAINE, UROGENITAL DISORDERS, ENDOTOXEMIA, ISCHEMIA, ATHEROSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB CO. (US) 2000-03-28 US claimed
WO-1998033780-A1 ENDOTHELIN ANTAGONISTS: N-[[2'-[ [(4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) [1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'-[(3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL)[1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO claimed
US-10828368-B2 Therapeutic treatments using centhaquin MIDWESTERN UNIVERSITY (US) 2020-11-10 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 EP 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-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-6043265-A TREATING HYPERTENSION, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MIGRAINE, UROGENITAL DISORDERS, ENDOTOXEMIA, ISCHEMIA, ATHEROSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB CO. (US) 2000-03-28 US disclosed
CN-1244862-A Endothelin antagonists N- [ [2' - [ [ (4, 5-dimethyl-3-isoxazolyl) amino ] sulfonyl ] -4- (2-oxazolyl) [1,1' biphenyl ] -2-yl ] methyl ] -N, 3, 3-trimethylbutanamide and N- (4, 5-dimethyl-3-isoxazolyl) -2 ' - [3, 3-dimethyl-2-oxo-1-pyrrolidinyl) methyl ] -4 ' -2-oxazolyl) [1,1' -biphenyl ] -2-sulfonamide and salts thereof BRISTOL MYERS SQUIBB CO (US) 2000-02-16 CN disclosed
US-5916907-A Method for preventing or treating low renin hypertension by administering an endothelin antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-29 US disclosed
WO-1998033780-A1 ENDOTHELIN ANTAGONISTS: N-[[2'-[ [(4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) [1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'-[(3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL)[1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO disclosed
WO-1998033780-A1 ENDOTHELIN ANTAGONISTS: N-[[2'-[ [(4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) [1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'-[(3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL)[1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO disclosed
WO-1998033780-A1 ENDOTHELIN ANTAGONISTS: N-[[2'-[ [(4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) [1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'-[(3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL)[1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO disclosed
WO-1998033781-A1 METHOD FOR PREVENTING OR TREATING LOW RENIN HYPERTENSION BY ADMINISTERING AN ENDOTHELIN ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 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 (3 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-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 EDNRB 502/4885EDNRA 429/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT EDNRB 7/4885EDNRA 11/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRB 148/4885EDNRA 141/4885

“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.