SCHEMBL7568031

SCHEMBL7568031

COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)c(Oc2ccccc2OC)c(OCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.65
EDNRA P25101 11/20 0.60
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
DHPS P49366 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR1I3 Q14994 1/20 0.45
LMNA P02545 2/20 0.45
JAK2 O60674 1/20 0.45
CYP2C9 P11712 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7568383 0.93 EDNRB (0.67) EDNRBEDNRAALDH1A1TSHRMAPT
SCHEMBL7573324 0.90 EDNRA (0.62) EDNRBEDNRAALDH1A1ABCC3ABCC4
SCHEMBL7569355 0.90 EDNRA (0.62) EDNRBEDNRAALDH1A1TSHRMAPT
SCHEMBL7569560 0.88 EDNRB (0.80) EDNRBEDNRAALDH1A1TSHRMAPT
SCHEMBL7567459 0.88 EDNRA (0.77) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7575122 0.86 EDNRB (0.60) EDNRBEDNRAALDH1A1TSHRMAPT
SCHEMBL7569630 0.86 EDNRB (0.57) EDNRBEDNRAALDH1A1TSHRGAA
SCHEMBL7573901 0.84 EDNRB (0.56) EDNRBEDNRAALDH1A1HTTPOLB
SCHEMBL7568663 0.83 EDNRB (0.48) EDNRBEDNRAALDH1A1TSHRMAPT
SCHEMBL7567961 0.83 EDNRA (0.55) EDNRBEDNRAALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US claimed
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed