SCHEMBL802427

SCHEMBL802427

Cc1cc(C)c(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 13/20 0.70
ABCC3 O15438 1/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
PDE4A P27815 1/20 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
SCHEMBL13324177 0.93 EDNRA (0.86) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL14097330 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL6964790 0.91 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631877 0.91 EDNRA (0.84) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631364 0.90 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4661728 0.90 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4632015 0.90 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631411 0.89 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7961933 0.89 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4630731 0.89 EDNRA (0.80) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP claimed
CN-1179961-C Sulfonamides for the treatment of endothelin mediated diseases ��ɪϣ����ҩ��˾ 2004-12-15 CN claimed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US claimed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US claimed
CN-1253560-A Sulfonamides for the treatment of endothelin mediated diseases TEXA BIOTECHNOLOGY CORP (US) 2000-05-17 CN 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
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
CN-1179961-C Sulfonamides for the treatment of endothelin mediated diseases ��ɪϣ����ҩ��˾ 2004-12-15 CN disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
CN-1253560-A Sulfonamides for the treatment of endothelin mediated diseases TEXA BIOTECHNOLOGY CORP (US) 2000-05-17 CN disclosed
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 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 (4 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 EDNRA 429/4885EDNRB 502/4885ABCC3 1458/4885
US-20020091270-A1 Sulfonamides for treatment of endothelin-mediated disorders EDNRA, ECE1, EDNRB EDNRA 1/4885EDNRB 3/4885ABCC3 2135/4885
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-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRA 141/4885EDNRB 148/4885ABCC3 1702/4885

“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.