SCHEMBL8829434

SCHEMBL8829434

C=C(c1ccc2c(c1)[C@@H](O)[C@@H](Cc1cccc(C(=O)NS(=O)(=O)c3ccccc3C)c1)CO2)c1ccc2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
LTB4R Q15722 18/20 0.38
LTB4R2 Q9NPC1 7/20 0.38

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
SCHEMBL8829432 1.00 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8829439 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8829445 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL8829425 0.85 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829428 0.85 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829440 0.85 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829411 0.74 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829398 0.74 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829402 0.74 CYSLTR1 (0.59) CYSLTR2CYSLTR1LTB4R
SCHEMBL8829386 0.68 CYSLTR1 (0.79) CYSLTR2CYSLTR1LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404440-B1 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER (US) 1997-11-05 EP disclosed
US-5384318-A Substituted sulfonamides and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1995-01-24 US disclosed
EP-0404440-A2 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER INC. (US) 1990-12-27 EP disclosed
WO-1990015801-A1 SUBSTITUTED SULFONAMIDES AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-12-27 WO disclosed