SCHEMBL5216766

SCHEMBL5216766

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
LCK P06239 4/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 1/20 0.34
MIF P14174 1/20 0.33
GAA P10253 1/20 0.33
CYP17A1 P05093 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL5213793 0.96 ATR (0.40) ATRNFKB1NFKB2RELACA1
SCHEMBL5213570 0.91 ATR (0.39) ATRNFKB1NFKB2RELACA1
SCHEMBL3041903 0.85 ATR (0.42) ATRCA1CA2LCKCA12
SCHEMBL15554387 0.80 ATR (0.35) ATRCA1CA2LCKCA12
SCHEMBL3043792 0.80 ATR (0.39) ATRCA1CA2LCKCA12
SCHEMBL15554386 0.77 ATR (0.35) ATRCA1CA2LCKCA12
SCHEMBL4207056 0.75 ATR (0.36) ATRCA1CA2LCKCA12
SCHEMBL3042736 0.75 LCK (0.43) ATRCA1LCKCA12CA9
SCHEMBL5214170 0.73 ATR (0.35) ATRCA1CA2LCKCA12
SCHEMBL5213633 0.73 ATR (0.35) ATRCA1CA2LCKCA12

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-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
US-7067533-B2 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2006-06-27 US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 US 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 3766/4885NFKB1 1135/4885NFKB2 557/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 ATR 2842/4885NFKB1 2796/4885NFKB2 1358/4885

“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.