SCHEMBL514802

SCHEMBL514802

COc1ccc(-c2nc(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CC(C)(O)C4)cc3)c(-c3ccccc3)s2)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
OXTR P30559 1/20 0.34
PTGS2 P35354 3/20 0.33
PPARD Q03181 3/20 0.33
CYP19A1 P11511 1/20 0.33
FFAR2 O15552 2/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL515253 0.86 AKT1 (0.37) PTGDR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL515252 0.86 AKT1 (0.37) PTGDR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL513508 0.83 XIAP (0.36) MEN1ALDH1A1MAPTKMT2AAKT1
SCHEMBL514755 0.82 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL10141078 0.82 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL514754 0.82 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL514025 0.81 XIAP (0.37) MEN1ALDH1A1MAPTKMT2AAKT1
SCHEMBL514026 0.81 XIAP (0.37) MEN1ALDH1A1MAPTKMT2AAKT1
SCHEMBL513117 0.81 ALDH1A1 (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL513116 0.81 ALDH1A1 (0.47) MEN1ALDH1A1MAPTKMT2A

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 PTGDR2 3046/4885MEN1 465/4885ALDH1A1 4175/4885

“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.