SCHEMBL513774

SCHEMBL513774

CC1(C)OB(c2ccc(CC(N)=O)nc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.48
F11 P03951 3/20 0.43
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
LIPG Q9Y5X9 5/20 0.39
LPL P06858 4/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL3661504 0.83 DGAT1 (0.49) DGAT1F11PDGFRBKDRLIPG
SCHEMBL13798181 0.83 DGAT1 (0.46) DGAT1F11F2PRSS1PRSS2
SCHEMBL14809578 0.83 DGAT1 (0.55) DGAT1F11PDGFRBKDRLIPG
SCHEMBL29665108 0.83 DGAT1 (0.55) DGAT1F11PDGFRBKDRLIPG
SCHEMBL18274843 0.81 DGAT1 (0.47) DGAT1LIPGLPLCA1CA2
SCHEMBL30015062 0.81 DGAT1 (0.48) DGAT1F11F2PRSS1PRSS2
SCHEMBL2068378 0.81 DGAT1 (0.48) DGAT1F11F2PRSS1PRSS2
SCHEMBL2316680 0.80 DGAT1 (0.47) DGAT1F11PDGFRBKDRLIPG
SCHEMBL3803828 0.80 DGAT1 (0.44) DGAT1F11LIPGLPLCA1
SCHEMBL2049952 0.79 F11 (0.40) DGAT1F11F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
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 (2 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 DGAT1 2393/4885F11 2825/4885F2 2689/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 DGAT1 1739/4885F11 3570/4885F2 4739/4885

“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.