SCHEMBL514738

SCHEMBL514738

CC1(O)CC(c2ccc(-c3nc(N4CCN(c5cnccn5)CC4)sc3-c3ccccc3)cc2)(N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.40
CKS1B P61024 5/20 0.34
SKP1 P63208 5/20 0.34
SKP2 Q13309 5/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX5 P09917 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
FAAH O00519 1/20 0.32
DRD4 P21917 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL514737 1.00 SLC6A7 (0.40) SLC6A7CKS1BSKP1SKP2KMT2A
SCHEMBL512699 0.83 AKT1 (0.45) SLC6A7KMT2AAKT1AKT2
SCHEMBL512700 0.83 AKT1 (0.45) SLC6A7KMT2AAKT1AKT2
SCHEMBL10141150 0.83 AKT1 (0.45) SLC6A7KMT2AAKT1AKT2
SCHEMBL14876924 0.83 SLC6A7 (0.42) SLC6A7CKS1BSKP1SKP2KMT2A
SCHEMBL14876926 0.83 SLC6A7 (0.42) SLC6A7CKS1BSKP1SKP2KMT2A
SCHEMBL514025 0.78 XIAP (0.37) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL514026 0.78 XIAP (0.37) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL513116 0.78 ALDH1A1 (0.47) KMT2AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL513117 0.78 ALDH1A1 (0.47) KMT2AALDH1A1HTTNPSR1SMN1; SMN2

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 SLC6A7 3292/4885CKS1B 568/4885SKP1 1701/4885

“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.