SCHEMBL3802024

SCHEMBL3802024

COC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 5/20 0.68

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
SCHEMBL6151682 0.89 EDNRA (0.88) EDNRAEDNRB
SCHEMBL12934035 0.89 EDNRA (0.80) EDNRAEDNRB
SCHEMBL4631503 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL5208967 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL9063334 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL3634612 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6151554 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8502911 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6778878 0.87 EDNRA (0.80) EDNRAEDNRB
SCHEMBL6964505 0.86 EDNRA (0.76) 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 58 patents — showing the first 20. 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
WO-2009002490-A2 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3-{[(3,4 DIMETHYL-5-ISOXAZOLYL)AMINO]SULFONYL}-2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
US-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS INC. 2008-12-25 US disclosed
US-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE ENCYSIVE PHARMACEUTICALS INC. 2008-12-25 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
EP-1498418-B1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-21 EP disclosed
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
US-5804585-A INHIBIT BINDING OF ENDOTHELIN PEPTIDE TO ENDOTHELIN RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-09-08 US disclosed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1997039000-A1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-10-23 WO disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
US-5591761-A Thiophenyl-, furyl-and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-07 US disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 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-20080317858-A1 FORMULATIONS OF N-(2-ACETYL-4,6-DIMETHYLPHENYL)-3--2-THIOPHENECARBOXAMIDE AADAC, B3GNT2, AANAT EDNRA 1571/4885EDNRB 1119/4885
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.