SCHEMBL3081563

SCHEMBL3081563

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccc(C(O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
TRPA1 O75762 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
TRPV1 Q8NER1 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNIK Q9UKE5 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL3081561 1.00 MAOB (0.52) MAOBTRPA1TRPM8HDAC3HDAC1
SCHEMBL3090599 0.93 TRPV1 (0.54) HDAC3HDAC1HDAC2TRPV1NPC1
SCHEMBL3090597 0.93 TRPV1 (0.54) HDAC3HDAC1HDAC2TRPV1NPC1
SCHEMBL8018409 0.88 MAOB (0.48) MAOBTRPA1TRPM8HDAC3HDAC1
SCHEMBL3087702 0.82 TRPV1 (0.47) TRPA1TRPM8HDAC3HDAC1HDAC2
SCHEMBL3087697 0.82 TRPV1 (0.47) TRPA1TRPM8HDAC3HDAC1HDAC2
SCHEMBL1119875 0.81 TRPV1 (0.49) MAOBTRPA1HDAC3HDAC1HDAC2
SCHEMBL1119870 0.81 TRPV1 (0.49) MAOBTRPA1HDAC3HDAC1HDAC2
SCHEMBL3099421 0.81 HDAC3 (0.53) MAOBTRPA1TRPM8HDAC3HDAC1
SCHEMBL3099431 0.81 HDAC3 (0.53) MAOBTRPA1TRPM8HDAC3HDAC1

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 MAOB 1382/4885TRPA1 3430/4885TRPM8 3576/4885

“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.