SCHEMBL5771042

SCHEMBL5771042

CC(C)OC(=O)C1(C)COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCc4ccccc4)n3)[nH]2)OC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
PIK3CA P42336 3/20 0.39
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5771156 0.90 MAPK14 (0.39) MAPK14PIK3CAMAPK13MAPK12MAPK11
SCHEMBL5769595 0.90 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768565 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773144 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5772010 0.89 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5771460 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768544 0.89 MAPK14 (0.43) MAPK14PIK3CAMAPK13MAPK12MAPK11
SCHEMBL5767873 0.89 MAPK14 (0.41) MAPK14PIK3CAMAPK13MAPK12MAPK11
SCHEMBL5771034 0.89 MAPK14 (0.41) MAPK14PIK3CAMAPK13MAPK12MAPK11
SCHEMBL5771941 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11

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-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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 (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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885PIK3CA 3229/4885MAPK13 1610/4885

“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.