SCHEMBL3087702

SCHEMBL3087702

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
MMP1 P03956 8/20 0.47
MMP2 P08253 8/20 0.47
MMP9 P14780 8/20 0.47
EGFR P00533 7/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TRPA1 O75762 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TNIK Q9UKE5 1/20 0.45
TRPM2 O94759 1/20 0.44
LTB4R Q15722 1/20 0.44

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
SCHEMBL3087697 1.00 TRPV1 (0.47) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL1119870 0.90 TRPV1 (0.49) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL1119875 0.90 TRPV1 (0.49) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL3090597 0.84 TRPV1 (0.54) TRPV1EGFRHDAC3HDAC1HDAC2
SCHEMBL3090599 0.84 TRPV1 (0.54) TRPV1EGFRHDAC3HDAC1HDAC2
SCHEMBL1119957 0.83 TRPV1 (0.53) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL1119960 0.83 TRPV1 (0.53) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL12356629 0.83 NPC1 (0.45) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL3081563 0.82 MAOB (0.52) TRPV1EGFRHDAC3HDAC1HDAC2
SCHEMBL3081561 0.82 MAOB (0.52) TRPV1EGFRHDAC3HDAC1HDAC2

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 TRPV1 2737/4885MMP1 376/4885MMP2 97/4885

“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.