SCHEMBL4054249

SCHEMBL4054249

O=C(O)CCSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
LTB4R Q15722 2/20 0.38
TBXA2R P21731 6/20 0.36
TBXAS1 P24557 2/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
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
SCHEMBL4052827 0.95 CYSLTR1 (0.39) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4229150 0.94 LTB4R (0.36) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4063107 0.93 LTB4R (0.37) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL14159613 0.93 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4228194 0.92 CYSLTR2 (0.39) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4242583 0.90 LTB4R (0.38) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4226154 0.89 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4062278 0.89 CYSLTR2 (0.36) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4056211 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1LTB4RTBXA2RTBXAS1
SCHEMBL4234235 0.89 CYSLTR2 (0.42) CYSLTR2CYSLTR1LTB4RALOX5AP

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 13 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
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP claimed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO 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
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US 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 CYSLTR2 7/4885CYSLTR1 6/4885LTB4R 4/4885

“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.