SCHEMBL6102407

SCHEMBL6102407

CC(C)(C)c1ccc(OC(=O)N2CCOCC2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPV4 Q9HBA0 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 3/20 0.42
TP53 P04637 1/20 0.42
LIPE Q05469 1/20 0.42
MTTP P55157 1/20 0.41
P2RX1 P51575 2/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41

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
SCHEMBL6101665 0.94 GAA (0.50) RAB9AGAANPSR1TRPV4SMN1; SMN2
SCHEMBL3496734 0.88 TMPRSS4 (0.56) GAANPSR1SMN1; SMN2LMNAMAPT
SCHEMBL13698751 0.87 TMPRSS4 (0.55) RAB9AGAANPSR1SMN1; SMN2POLB
SCHEMBL6102756 0.86 POLB (0.52) RAB9AGAANPSR1SMN1; SMN2LMNA
SCHEMBL3498301 0.85 EPHX1 (0.49) RAB9AGAANPSR1TRPV4SMN1; SMN2
SCHEMBL3498004 0.83 KMT2A (0.52) RAB9AGAANPSR1SMN1; SMN2MAPT
SCHEMBL6102718 0.82 MAOB (0.47) GAANPSR1TRPV4SMN1; SMN2LMNA
SCHEMBL6101727 0.82 KMT2A (0.48) RAB9AGAANPSR1SMN1; SMN2LMNA
SCHEMBL6102715 0.82 P2RX1 (0.46) GAANPSR1TRPV4SMN1; SMN2LMNA
SCHEMBL6101202 0.82 GAA (0.42) GAANPSR1TRPV4SMN1; SMN2LMNA

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 RAB9A 3734/4885GAA 1806/4885NPSR1 2003/4885

“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.