SCHEMBL2106074

SCHEMBL2106074

Cc1[c]c(C)c(-c2cccc(C#N)c2)c(SC(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.36
SLC22A12 Q96S37 2/20 0.34
CNR2 P34972 1/20 0.34
TGFBR1 P36897 1/20 0.33
ENPP1 P22413 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAT2A P31153 1/20 0.32
PDK2 Q15119 2/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
SYK P43405 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL2106665 0.87 KIF11 (0.34) PTPN5SLC22A12
SCHEMBL2106045 0.83 TGFBR1 (0.31) TGFBR1
SCHEMBL2103316 0.80 ENPP1 (0.35) PTPN5SLC22A12TGFBR1ENPP1CLK4
SCHEMBL1950940 0.79 FNTA (0.37) PTPN5CNR2TGFBR1ENPP1CLK4
SCHEMBL2106073 0.78 AR (0.34) PTPN5PDK2
SCHEMBL2105940 0.78
SCHEMBL1948112 0.77 PTPN5 (0.37) PTPN5CNR2TGFBR1ENPP1CLK4
SCHEMBL2103081 0.77
SCHEMBL2105406 0.77
SCHEMBL2104528 0.77 CYP2A6 (0.33) SLC22A12PDK2

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-8563736-B2 Amide derivatives, process for preparation thereof and use thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 PTPN5 1415/4885SLC22A12 3915/4885CNR2 3398/4885

“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.