SCHEMBL876108

SCHEMBL876108

CC(O)c1ccc(Oc2cccc(C(F)(F)F)n2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.41
AR P10275 4/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
FPR2 P25090 1/20 0.36
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL876043 0.79 SCN9A (0.37) SCN9AARALOX5APFEN1
SCHEMBL875362 0.79 AR (0.47) SCN9AARALOX5APFEN1
SCHEMBL876337 0.77 SCN9A (0.39) SCN9AARKDM4EALDH1A1HPGD
SCHEMBL876625 0.77 SCN9A (0.49) SCN9AARKDM4ENPSR1
SCHEMBL875626 0.77 SCN9A (0.39) SCN9AARALOX5APFEN1ALDH1A1
SCHEMBL14663873 0.74 SCN9A (0.40) SCN9AARCYP11B1CYP11B2
SCHEMBL7133698 0.73 PDE2A (0.40) ARCYP3A4CYP11B1CYP11B2KDM4E
SCHEMBL14662030 0.71 AR (0.44) ARALDH1A1
SCHEMBL28693432 0.70 PLA2G7 (0.60) SCN9A
SCHEMBL24061947 0.70 ALDH1A1 (0.54) ARCYP3A4CYP11B1CYP11B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 SCN9A 4613/4885AR 3517/4885ALOX5AP 28/4885

“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.