SCHEMBL3059146

SCHEMBL3059146

CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Oc2ccc3cc(C(=O)O)n(C)c3c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.41
OXTR P30559 2/20 0.41
SCN9A Q15858 7/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
PPARG P37231 4/20 0.40
NTRK1 P04629 1/20 0.40
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
ITK Q08881 1/20 0.39
GFER P55789 1/20 0.37

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
SCHEMBL3062655 0.89 PPARG (0.45) STAT3OXTRPPARGGFER
SCHEMBL3064438 0.88 OXTR (0.41) OXTRSCN9ASCN10APPARGGFER
SCHEMBL3062596 0.87 SCN9A (0.54) STAT3SCN9ASCN10ASCN7AKCNH2
SCHEMBL3057087 0.85 STAT3 (0.47) STAT3SCN9ASCN10ASCN7AKCNH2
SCHEMBL3061602 0.83 RAB9A (0.50) STAT3
Bromide SCHEMBL3057792 0.81 STAT3 (0.66) STAT3
SCHEMBL15295491 0.81 STAT3 (0.67) STAT3
SCHEMBL10180672 0.80 STAT3 (0.57) STAT3
SCHEMBL15295444 0.80 STAT3 (0.57) STAT3
Bromide SCHEMBL3056773 0.80 STAT3 (0.66) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885OXTR 182/4885SCN9A 2616/4885

“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.