SCHEMBL4090540

SCHEMBL4090540

O=C(O)c1cc2c(-c3ccc(C(F)(F)F)cn3)nc(-c3ccc(C(F)(F)F)cn3)cc2n1-c1ccc(OC2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.37
GCK P35557 2/20 0.36
KCNH2 Q12809 2/20 0.36
SOAT1 P35610 1/20 0.36
EPHX2 P34913 1/20 0.35
LIPG Q9Y5X9 5/20 0.35
LPL P06858 1/20 0.35
TEAD1 P28347 1/20 0.35
LIPC P11150 1/20 0.35
ACACB O00763 1/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
SCN9A Q15858 5/20 0.34
ADORA2A P29274 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LIPE Q05469 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
SCHEMBL3578441 0.82 PTGES (0.47) DGAT1GCKKCNH2SOAT1EPHX2
SCHEMBL4096749 0.75 PTGES (0.47) TEAD1PPARASCN9A
SCHEMBL3573981 0.73 PPARG (0.41) DGAT1KCNH2SOAT1LIPGLPL
SCHEMBL3577884 0.72 GCK (0.41) DGAT1GCKKCNH2SOAT1ACACB
SCHEMBL4101074 0.72 PTGES (0.54) TEAD1PPARASCN9A
SCHEMBL3576199 0.71 PPARG (0.40) DGAT1KCNH2LIPGLPLPPARD
SCHEMBL4089205 0.70 PTGES (0.56) TEAD1PPARASCN9A
SCHEMBL4097221 0.70 PTGES (0.55) TEAD1PPARDSCN9A
SCHEMBL3017912 0.69 PPARA (0.37) DGAT1KCNH2PPARDPPARAADORA2A
SCHEMBL3582187 0.67 PTGES (0.67) TEAD1PPARDPPARA

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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 DGAT1 4718/4885GCK 2322/4885KCNH2 3371/4885

“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.