Sugi Predict

Sugi Predict / Compounds / SCHEMBL8889172

SCHEMBL8889172

SCHEMBL8889172

CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.73
▸ CYSLTR2 Q9NS75 7/20 0.52
▸ ALOX5 P09917 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34

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
SCHEMBL8889168 1.00 CYSLTR1 (0.73) CYSLTR1CYSLTR2ALOX5EPHX2ALOX5AP
SCHEMBL8888517 0.91 CYSLTR1 (0.87) CYSLTR1CYSLTR2
SCHEMBL8888512 0.91 CYSLTR1 (0.87) CYSLTR1CYSLTR2
SCHEMBL8889274 0.86 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL8889278 0.86 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL8888727 0.84 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8888723 0.84 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8888825 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5EPHX2ALOX5AP
SCHEMBL8888831 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5EPHX2ALOX5AP
SCHEMBL8891057 0.80 CYSLTR1 (0.54) CYSLTR1CYSLTR2ALOX5EPHX2ALOX5AP

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