SCHEMBL4096749

SCHEMBL4096749

COc1nc(-c2ccc(C(F)(F)F)cn2)cc2c1cc(C(=O)O)n2-c1ccc(OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.47
MAT2A P31153 2/20 0.41
PPARG P37231 4/20 0.35
PPARA Q07869 1/20 0.35
PTPN11 Q06124 2/20 0.35
TEAD1 P28347 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
TEAD3 Q99594 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR Q13258 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL4101074 0.86 PTGES (0.54) PTGESPPARGPPARATEAD1TEAD4
SCHEMBL4089205 0.84 PTGES (0.56) PTGESPPARGPPARATEAD1TEAD4
SCHEMBL3582187 0.81 PTGES (0.67) PTGESPPARGPPARATEAD1TEAD4
SCHEMBL4097221 0.78 PTGES (0.55) PTGESPPARGTEAD1TEAD4TEAD2
SCHEMBL4097026 0.77 PTGES (0.52) PTGESPPARAPTPN11SCN9APTGDR
SCHEMBL4090259 0.77 PTGES (0.61) PTGESPTPN11
SCHEMBL4923306 0.76 PTGES (0.52) PTGESSCN9A
SCHEMBL4228522 0.76 PTGES (0.59) PTGESSCN9A
SCHEMBL4090540 0.75 DGAT1 (0.37) PPARATEAD1SCN9A
SCHEMBL4268491 0.74 PTGES (0.60) PTGESTEAD1TEAD4TEAD2TEAD3

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 PTGES 47/4885MAT2A 3174/4885PPARG 1316/4885

“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.