SCHEMBL3087699

SCHEMBL3087699

CC(C)(C)OC(=O)NN(C(=O)C=Cc1ccc(C(O)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NR1H4 Q96RI1 2/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
AKT1 P31749 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1119874 0.92 TRPM8 (0.44) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1969096 0.83 TRPM8 (0.40) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1969099 0.83 TRPM8 (0.40) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1119725 0.82 TRPM8 (0.43) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1965070 0.82 TRPM8 (0.38) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1968042 0.79 TRPM8 (0.41) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL1120046 0.79 TRPM8 (0.40) TRPM8PPARGPPARANR1H4KMT2A
SCHEMBL3229865 0.78 PPARG (0.37) TRPM8PPARGPPARANR1H4KMT2A
SCHEMBL1966138 0.77 TRPM8 (0.36) TRPM8PPARGPPARANR1H4LTB4R
SCHEMBL3226412 0.77 BCL9 (0.39) TRPM8PPARGPPARANR1H4MEN1

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
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD TRPM8 3576/4885PPARG 674/4885PPARA 1284/4885

“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.