SCHEMBL4228282

SCHEMBL4228282

O=S(=O)(NCCSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.39
TBXAS1 P24557 2/20 0.39
CYSLTR1 Q9Y271 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
LTB4R Q15722 2/20 0.36
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4242583 0.87 LTB4R (0.38) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4054249 0.85 CYSLTR2 (0.38) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4063107 0.84 LTB4R (0.37) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL14159613 0.84 CYSLTR2 (0.38) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4052827 0.83 CYSLTR1 (0.39) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4234204 0.83 TBXA2R (0.38) TBXA2RTBXAS1CYSLTR1
SCHEMBL4234209 0.83 TBXA2R (0.38) TBXA2RTBXAS1CYSLTR1
SCHEMBL4228194 0.83 CYSLTR2 (0.39) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4056211 0.83 CYSLTR2 (0.44) TBXA2RTBXAS1CYSLTR1CYSLTR2LTB4R
SCHEMBL4745998 0.83 LTB4R (0.38) TBXAS1CYSLTR1CYSLTR2LTB4RPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US claimed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP claimed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US claimed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 TBXA2R 26/4885TBXAS1 43/4885CYSLTR1 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.