SCHEMBL6792745

SCHEMBL6792745

COc1cc(S(=O)(=O)Nc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.74
CA9 Q16790 1/20 0.74
HTT P42858 4/20 0.66
PLAU P00749 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
SCN9A Q15858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
IDH2 P48735 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51

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
SCHEMBL8752463 0.85 CA12 (1.00) CA12CA9HTTSMN1; SMN2LMNA
SCHEMBL633327 0.83 CA12 (0.83) CA12CA9HTTPLAUSMN1; SMN2
SCHEMBL3046360 0.82 CA12 (0.78) CA12CA9HTTSMN1; SMN2LMNA
SCHEMBL4779268 0.82 KAT6A (0.49) CA12CA9HTTPLAUSMN1; SMN2
SCHEMBL794177 0.81 CA12 (0.50) CA12CA9HTTPLAUSMN1; SMN2
SCHEMBL10947961 0.81 CA12 (0.76) CA12CA9HTTSMN1; SMN2LMNA
SCHEMBL10119724 0.81 CA12 (0.79) CA12CA9HTTPLAUSMN1; SMN2
Potassium SCHEMBL633422 0.80 CA12 (0.77) CA12CA9HTTPLAUSMN1; SMN2
SCHEMBL633421 0.80 CA12 (0.77) CA12CA9HTTPLAUSMN1; SMN2
SCHEMBL3879530 0.79 CA2 (0.66) CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed
US-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US 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-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