SCHEMBL515253

SCHEMBL515253

COc1cncc(-c2nc(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CC(C)(O)C4)cc3)c(-c3ccccc3)s2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.37
AKT2 P31751 4/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDR P35968 2/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PIK3CG P48736 2/20 0.33
PTGS2 P35354 2/20 0.33
PIK3CA P42336 1/20 0.33
PPARD Q03181 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL515252 1.00 AKT1 (0.37) AKT1AKT2PTGDR2MEN1ALDH1A1
SCHEMBL514802 0.86 PTGDR2 (0.35) AKT1AKT2PTGDR2MEN1ALDH1A1
SCHEMBL10141130 0.82 AKT1 (0.49) AKT1AKT2ALOX5
SCHEMBL513854 0.82 AKT1 (0.49) AKT1AKT2ALOX5
SCHEMBL513855 0.82 AKT1 (0.49) AKT1AKT2ALOX5
SCHEMBL513508 0.81 XIAP (0.36) AKT1AKT2MEN1ALDH1A1MAPT
SCHEMBL514026 0.81 XIAP (0.37) AKT1AKT2MEN1ALDH1A1MAPT
SCHEMBL514025 0.81 XIAP (0.37) AKT1AKT2MEN1ALDH1A1MAPT
SCHEMBL513116 0.80 ALDH1A1 (0.47) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL513117 0.80 ALDH1A1 (0.47) MEN1ALDH1A1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B AKT1 172/4885AKT2 121/4885PTGDR2 3046/4885

“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.