SCHEMBL3578404

SCHEMBL3578404

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SCN9A Q15858 9/20 0.35
MCHR1 Q99705 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
DGAT1 O75907 2/20 0.34
FPR2 P25090 1/20 0.34
ADORA2A P29274 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADAMTS4 O75173 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 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
SCHEMBL3582187 0.89 PTGES (0.67) PTGESMCHR1
SCHEMBL3572566 0.89 PTGES (0.42) PTGESPTGDR2SCN9ADGAT1ADORA2A
SCHEMBL3571518 0.81 PTGES (0.68) PTGESFGFR1
SCHEMBL4228522 0.80 PTGES (0.59) PTGESSCN9AKCNH2
SCHEMBL3571641 0.79 PTGES (0.53) PTGESSCN9A
SCHEMBL4089205 0.78 PTGES (0.56) PTGESSCN9A
SCHEMBL3578441 0.78 PTGES (0.47) PTGESHDAC1HDAC2SCN9AMCHR1
SCHEMBL3627558 0.78 PTGES (0.68) PTGESFGFR1
SCHEMBL4097026 0.77 PTGES (0.52) PTGESSCN9AMCHR1DGAT1
SCHEMBL3570895 0.77 PTGES (0.83) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885PTGDR2 23/4885HDAC1 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.