SCHEMBL6101665

SCHEMBL6101665

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 3/20 0.44
LIPE Q05469 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
P2RX1 P51575 3/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FKBP1A P62942 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6102407 0.94 RAB9A (0.50) GAANPSR1TP53MAPTEPHX2
SCHEMBL3496734 0.92 TMPRSS4 (0.56) GAANPSR1TP53MAPTRXFP1
SCHEMBL13698751 0.91 TMPRSS4 (0.55) GAANPSR1KDM4ETP53TMPRSS4
SCHEMBL3498301 0.88 EPHX1 (0.49) GAANPSR1KDM4ETP53MAPT
SCHEMBL3498004 0.87 KMT2A (0.52) GAANPSR1KDM4ETP53MAPT
SCHEMBL6102718 0.86 MAOB (0.47) GAANPSR1KDM4ETP53MAPT
SCHEMBL6101202 0.85 GAA (0.42) GAANPSR1KDM4ETP53MAPT
SCHEMBL6102715 0.85 P2RX1 (0.46) GAANPSR1TP53MAPTEPHX2
SCHEMBL3498205 0.85 TMPRSS4 (0.55) GAANPSR1KDM4ETP53EPHX2
SCHEMBL6101727 0.84 KMT2A (0.48) GAANPSR1MAPTTMPRSS4P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA GAA 1806/4885NPSR1 2003/4885KDM4E 1885/4885

“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.