SCHEMBL513693

SCHEMBL513693

CC(C)(C)N(C(=O)O)[C@]1(c2ccc(-c3nc(-c4cnc(C5(O)CCOCC5)s4)sc3-c3ccccc3)cc2)C[C@](C)(O)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.32
PTGS2 P35354 2/20 0.32
AKT1 P31749 5/20 0.32
AKT2 P31751 5/20 0.32
FABP4 P15090 2/20 0.31
GABRA1 P14867 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL513508 0.86 XIAP (0.36) PTGS2AKT1AKT2FABP4
SCHEMBL514796 0.83 AKT1 (0.45) AKT1AKT2
SCHEMBL514797 0.83 AKT1 (0.45) AKT1AKT2
SCHEMBL14876784 0.83 PTGS2 (0.35) SYKPTGS2AKT1AKT2FABP4
SCHEMBL14876786 0.83 PTGS2 (0.35) SYKPTGS2AKT1AKT2FABP4
SCHEMBL513990 0.81 XIAP (0.33) PTGS2FABP4
SCHEMBL514149 0.79 AKT1 (0.42) AKT1AKT2
SCHEMBL514150 0.79 AKT1 (0.42) AKT1AKT2
SCHEMBL513102 0.79 FABP4 (0.33) FABP4
SCHEMBL514802 0.78 PTGDR2 (0.35) PTGS2AKT1AKT2

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 SYK 136/4885PTGS2 3234/4885AKT1 172/4885

“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.