SCHEMBL4095900

SCHEMBL4095900

O=C(O)c1cc2sc(-c3ccc(OC4CC4)cc3)cc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
PTGES O14684 1/20 0.38
APP P05067 1/20 0.38
ACACB O00763 5/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 1/20 0.35
GGPS1 O95749 1/20 0.35
FDPS P14324 1/20 0.35
PARP10 Q53GL7 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAOB P27338 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL4086721 0.93 PTGES (0.48) PTGESAPPACACBPTGS1PTGS2
SCHEMBL4099400 0.86 ALDH1A1 (0.39) EPHX2PTGESAPPACACBPTGS1
SCHEMBL4087011 0.85 EPHX2 (0.38) EPHX2APPACACBPTGS1PTGS2
SCHEMBL4097942 0.80 PTGES (0.57) PTGESFDPSPARP10
SCHEMBL4093339 0.77 MAOA (0.39) ACACBMAOB
SCHEMBL4096081 0.74 MAOA (0.41) ACACBMAOB
SCHEMBL4096225 0.72 PTGES (0.54) PTGES
SCHEMBL4101699 0.71 PTGES (0.48) PTGES
SCHEMBL4101700 0.71 PTGES (0.48) PTGES
SCHEMBL3578255 0.71 PTGES (0.69) PTGESAPPACACBPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES EPHX2 2736/4885PTGES 3/4885APP 1498/4885

“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.