SCHEMBL4228522

SCHEMBL4228522

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(Oc4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.59
SCN9A Q15858 18/20 0.49
SCN7A Q01118 4/20 0.47
KCNH2 Q12809 4/20 0.47
SCN5A Q14524 4/20 0.47
SCN10A Q9Y5Y9 1/20 0.46

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
SCHEMBL4923306 0.93 PTGES (0.52) PTGESSCN9ASCN7AKCNH2SCN5A
SCHEMBL4228507 0.89 SCN9A (0.48) PTGESSCN9ASCN10A
Water SCHEMBL4923358 0.87 PTGES (0.66) PTGESSCN9A
Water SCHEMBL4923346 0.87 PTGES (0.66) PTGESSCN9A
SCHEMBL3582187 0.85 PTGES (0.67) PTGES
Hydrochloric Acid SCHEMBL4218099 0.85 SCN9A (0.56) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL4095174 0.84 PTGES (0.51) PTGES
SCHEMBL4233483 0.83 SCN9A (0.47) PTGESSCN9ASCN7AKCNH2SCN5A
SCHEMBL4089205 0.83 PTGES (0.56) PTGESSCN9A
SCHEMBL4921606 0.83 PTGES (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 US disclosed
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 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 (2 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-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 PTGES 35/4885SCN9A 4095/4885SCN7A 4261/4885
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 28/4885SCN9A 4230/4885SCN7A 4340/4885

“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.