Sugi Predict

Sugi Predict / Compounds / SCHEMBL7569560

SCHEMBL7569560

SCHEMBL7569560

COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)c(Oc2cccc(OC)c2)c(OCCO)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 2/20 0.80
▸ ALDH1A1 P00352 7/20 0.48
▸ TSHR P16473 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ EDNRA P25101 4/20 0.47
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TCF4 P15884 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL7565436 0.93 EDNRB (0.82) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7567577 0.92 EDNRB (0.68) EDNRBALDH1A1TSHRLMNAEDNRA
SCHEMBL7565899 0.89 EDNRB (1.00) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7572798 0.89 EDNRB (0.64) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7572997 0.88 EDNRB (0.63) EDNRBEDNRA
SCHEMBL7568031 0.88 EDNRB (0.65) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7567416 0.86 EDNRB (0.70) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7567615 0.85 EDNRB (0.70) EDNRBALDH1A1TSHRLMNAEDNRA
SCHEMBL7574315 0.84 EDNRB (0.59) EDNRBALDH1A1TSHRLMNAJAK2
SCHEMBL7567507 0.82 EDNRB (0.66) EDNRBALDH1A1TSHRLMNAJAK2

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