SCHEMBL3064438

SCHEMBL3064438

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
SCN9A Q15858 5/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
PPARG P37231 4/20 0.39
GFER P55789 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MLNR O43193 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNA7 P36544 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 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
SCHEMBL3062655 0.89 PPARG (0.45) OXTRPPARGGFERTNKSTNKS2
SCHEMBL3059146 0.88 STAT3 (0.41) OXTRSCN9ASCN10APPARGGFER
Bromide SCHEMBL3059647 0.84 STAT3 (0.52)
SCHEMBL10181171 0.82 STAT3 (0.51)
SCHEMBL3065118 0.82 STAT3 (0.55)
SCHEMBL3064436 0.81 PPARG (0.40) SCN9ASCN10APPARGGFERKDM4E
Hydrochloric Acid SCHEMBL3051249 0.81 STAT3 (0.50)
Bromide SCHEMBL3062249 0.81 STAT3 (0.49)
SCHEMBL15295464 0.80 STAT3 (0.60)
SCHEMBL10180672 0.80 STAT3 (0.57)

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 OXTR 182/4885SCN9A 2616/4885SCN10A 2006/4885

“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.