SCHEMBL6101699

SCHEMBL6101699

CC(C)(C)c1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.52
P2RX1 P51575 4/20 0.50
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX7 Q99572 1/20 0.45
NR1H4 Q96RI1 5/20 0.44
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
PPARD Q03181 3/20 0.44
SRPK3 Q9UPE1 1/20 0.43
MRGPRX4 Q96LA9 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
SCHEMBL3497642 0.87 LRRK2 (0.57) LRRK2P2RX1CYP1A2P2RX4P2RX7
SCHEMBL16707259 0.87 LRRK2 (0.55) LRRK2P2RX1CYP1A2P2RX4P2RX7
SCHEMBL6102385 0.85 LRRK2 (0.52) LRRK2CYP1A2NR1H4PPARGPPARA
SCHEMBL20280065 0.83 LRRK2 (0.53) LRRK2P2RX1CYP1A2P2RX4P2RX7
SCHEMBL6103242 0.82 LRRK2 (0.57) LRRK2P2RX1CYP1A2
SCHEMBL17859072 0.82 LRRK2 (0.52) LRRK2NR1H4PPARGPPARAPPARD
SCHEMBL17858986 0.82 LRRK2 (0.60) LRRK2P2RX1P2RX4P2RX7NR1H4
SCHEMBL3498496 0.81 P2RX1 (0.48) P2RX1P2RX4P2RX7
SCHEMBL131166 0.78 LRRK2 (0.63) LRRK2P2RX1SRPK3
SCHEMBL130386 0.78 LRRK2 (0.62) LRRK2P2RX1P2RX4P2RX7SRPK3

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 LRRK2 4237/4885P2RX1 2507/4885TRPA1 563/4885

“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.