SCHEMBL5213633

SCHEMBL5213633

Cc1c(C)c(C)c(NC(=O)OC(C)(C)C)c(NCC(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP17A1 P05093 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 2/20 0.33
CA14 Q9ULX7 2/20 0.33
LCK P06239 2/20 0.32
PTPN11 Q06124 1/20 0.32
CA1 P00915 3/20 0.32

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
SCHEMBL4207056 0.92 ATR (0.36) ATRPTGDR2GRIN2DGRIN3BGRIN1
SCHEMBL4216781 0.82 LCK (0.39) ATRPTGDR2ALDH1A1CA12LCK
SCHEMBL5216310 0.79 ATR (0.36) ATRPTGDR2MEN1GAAKMT2A
SCHEMBL6067779 0.78 ATR (0.36) ATRPTGDR2MEN1GAAKMT2A
SCHEMBL5215289 0.77 ATR (0.37) ATRPTGDR2MEN1GAAKMT2A
SCHEMBL5213570 0.75 ATR (0.39) ATRMEN1GAAKMT2ACYP17A1
SCHEMBL5216766 0.73 ATR (0.38) ATRGAACYP17A1CA12CA2
SCHEMBL9300423 0.73 CYP17A1 (0.51) PTGDR2MEN1KMT2ACYP17A1ALDH1A1
SCHEMBL5213793 0.73 ATR (0.40) ATRMEN1GAAKMT2ACYP17A1
SCHEMBL4202842 0.73 CYP17A1 (0.34) ATRPTGDR2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 US disclosed
CN-1264821-C Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SUNTORY LTD (JP) 2006-07-19 CN disclosed
CN-1449493-A Aminophenoxyacetamide derivatives and pharmaceutical compositions containing them SUNTORY LTD (JP) 2003-10-15 CN disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 US disclosed
EP-1228367-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2002-08-07 EP disclosed
WO-2001079170-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2001-10-25 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 (2 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-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B ATR 3766/4885PTGDR2 969/4885GRIN2D 96/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 ATR 2842/4885PTGDR2 316/4885GRIN2D 234/4885

“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.