SCHEMBL8889672

SCHEMBL8889672

COc1ccc(NS(=O)(=O)C(F)(F)F)cc1CC1COc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.70
CYSLTR2 Q9NS75 7/20 0.52
LTB4R Q15722 1/20 0.35

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
SCHEMBL8889678 1.00 CYSLTR1 (0.70) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889278 0.91 CYSLTR1 (0.58) CYSLTR1CYSLTR2LTB4R
SCHEMBL8889274 0.91 CYSLTR1 (0.58) CYSLTR1CYSLTR2LTB4R
SCHEMBL8888517 0.87 CYSLTR1 (0.87) CYSLTR1CYSLTR2
SCHEMBL8888512 0.87 CYSLTR1 (0.87) CYSLTR1CYSLTR2
SCHEMBL8888459 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4R
SCHEMBL8888199 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4R
SCHEMBL8888465 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2LTB4R
SCHEMBL8047066 0.85 CYSLTR1 (0.52) CYSLTR1CYSLTR2LTB4R
SCHEMBL8891759 0.82 CYSLTR1 (0.49) CYSLTR1CYSLTR2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP claimed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO claimed
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed