SCHEMBL7567944

SCHEMBL7567944

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(=O)O)cc2OCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.58
EDNRB P24530 3/20 0.51
CCR2 P41597 3/20 0.42
CCR1 P32246 2/20 0.42
FABP4 P15090 1/20 0.41
KDM1A O60341 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
PPARG P37231 2/20 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
SCHEMBL7566622 0.94 EDNRA (0.58) EDNRAEDNRBCCR2CCR1LMNA
SCHEMBL7566613 0.93 EDNRA (0.58) EDNRAEDNRBFABP4LMNAKDM4E
SCHEMBL7566496 0.93 EDNRB (0.55) EDNRAEDNRBCCR2CCR1FABP4
SCHEMBL7566698 0.90 EDNRB (0.65) EDNRAEDNRBLMNAKDM4EALDH1A1
SCHEMBL7573691 0.86 EDNRA (0.58) EDNRAEDNRBALDH1A1
SCHEMBL7573361 0.86 EDNRB (0.53) EDNRAEDNRBLMNAALDH1A1
SCHEMBL7569190 0.84 EDNRB (0.47) EDNRAEDNRBCCR2CCR1FABP4
SCHEMBL7567454 0.83 EDNRB (0.65) EDNRAEDNRBLMNAALDH1A1
SCHEMBL7567753 0.82 EDNRB (0.71) EDNRAEDNRBLMNAALDH1A1
SCHEMBL7566642 0.81 EDNRA (0.62) EDNRAEDNRBKDM4EALDH1A1

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