SCHEMBL4630624

SCHEMBL4630624

CC(C)c1ccc(-n2cccc2S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
PTGS2 P35354 1/20 0.38
NOTUM Q6P988 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MPL P40238 1/20 0.34
TYR P14679 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
PGR P06401 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9063025 0.95 PTGS2 (0.39) MGLLLMNAPOLBRECQLPTGS2
SCHEMBL4630669 0.85 PTGS2 (0.40) MGLLLMNAPOLBRECQLPTGS2
SCHEMBL28143996 0.78 ATM (0.47) LMNAPOLBNOTUMMAPTKDM4E
SCHEMBL13118518 0.73 POLB (0.41) MGLLLMNAPOLBRECQLNOTUM
SCHEMBL5813044 0.72 MGLL (0.48) MGLLLMNAPOLBRECQLNOTUM
SCHEMBL28289189 0.72 NOTUM (0.41) MGLLLMNAPOLBRECQLNOTUM
Sulfuric Acid SCHEMBL28312131 0.69 TYR (0.50) MGLLLMNAPOLBPTGS2FABP3
SCHEMBL29618 0.68 ALDH1A1 (0.56) LMNAPOLBFABP3FABP4FABP5
Ammonia Solution, Strong SCHEMBL340601 0.66 ALDH1A1 (0.54) LMNAPOLBFABP3FABP4FABP5
SCHEMBL7044927 0.66 ALDH1A1 (0.54) LMNAPOLBFABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
EP-1498418-B1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-21 EP disclosed
EP-0980369-B1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS ENCYSIVE PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
EP-1498418-A1 Sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 EP 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-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP disclosed
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP 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
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