SCHEMBL10212012

SCHEMBL10212012

CC1(C)NC(=O)C(c2ccccc2OC(F)(F)F)=C1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN9A Q15858 2/20 0.39
STK10 O94804 4/20 0.36
SLK Q9H2G2 4/20 0.36
HSD11B1 P28845 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GSK3B P49841 3/20 0.34
TRPA1 O75762 1/20 0.34
MAP2 P11137 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GSK3A P49840 1/20 0.34
FFAR1 O14842 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
SCHEMBL11941306 0.75 DAO (0.39) ALDH1A1L3MBTL1POLBNPSR1GSK3B
SCHEMBL10212011 0.72 POLB (0.34) ALDH1A1L3MBTL1POLBNPSR1SCN9A
SCHEMBL11941307 0.70 PTGS2 (0.46) ALDH1A1GSK3B
SCHEMBL10212031 0.69 NOTUM (0.34)
SCHEMBL7701143 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBNPSR1SCN9A
SCHEMBL11941315 0.67 ACACB (0.46) ALDH1A1
SCHEMBL27470653 0.66 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBNPSR1SCN9A
SCHEMBL11941299 0.64 L3MBTL1 (0.42) L3MBTL1
SCHEMBL3063162 0.63 CES1 (0.58) L3MBTL1POLBNPSR1SCN9A
SCHEMBL342054 0.63 DDB1 (0.39) POLBNPSR1SCN9AGSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507537-B2 Trifluromethoxyphenyl-substituted tetramic acid derivatives pesticides and/or herbicides BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
US-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
US-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
WO-2008067873-A1 TRIFLUOROMETHOXYPHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PESTICIDES AND/OR HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-06-12 WO 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-20120015807-A1 Trifluromethoxyphenyl-Substituted Tetramic Acid Derivatives Pesticides and/or Herbicides DDT, PTPRG, SLC1A5 ALDH1A1 3990/4885L3MBTL1 2167/4885POLB 1794/4885

“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.