SCHEMBL4061187

SCHEMBL4061187

O=C(O)CCSC1c2cc(OCc3cc(F)c4ccc(Cl)cc4n3)ccc2CCc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE10A Q9Y233 1/20 0.31
FFAR1 O14842 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPC1 O15118 1/20 0.31
TBXA2R P21731 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
LHCGR P22888 1/20 0.30
KCNH2 Q12809 1/20 0.30
NR4A2 P43354 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30

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
SCHEMBL4059466 0.88 PDE4A (0.33) PDE4APDE4BPDE10AS1PR1S1PR5
SCHEMBL4052136 0.85 CYSLTR2 (0.36) PDE10AFFAR1CYSLTR2CYSLTR1
SCHEMBL4052958 0.84 CYSLTR2 (0.39) PDE10AFFAR1CYSLTR2CYSLTR1
SCHEMBL14159715 0.78 ALOX5AP (0.34) PDE10ACYSLTR2CYSLTR1
SCHEMBL4051700 0.73 CYSLTR2 (0.38) FFAR1CYSLTR2CYSLTR1
SCHEMBL4688152 0.73 CYSLTR2 (0.36) FFAR1CYSLTR2CYSLTR1
SCHEMBL4049859 0.72 CYSLTR2 (0.40) FFAR1CYSLTR2CYSLTR1
SCHEMBL4229150 0.72 LTB4R (0.36) TBXA2RCYSLTR2CYSLTR1
SCHEMBL4059423 0.72 CYSLTR2 (0.38) FFAR1CYSLTR2CYSLTR1
SCHEMBL7806623 0.71 TBXA2R (0.42) TBXA2R

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 2 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 disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US 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 PDE4A 528/4885PDE4B 590/4885PDE10A 2198/4885

“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.