SCHEMBL799253

SCHEMBL799253

Cc1nc(NC(=O)Nc2ccccc2OCCC(C)C)sc1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.58
PIK3CA P42336 10/20 0.58
PIK3CG P48736 10/20 0.58
PIK3CB P42338 8/20 0.58
PI4KB Q9UBF8 9/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL799251 0.82 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48530 0.77 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL12363422 0.77 PIK3CD (0.80) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1784923 0.77 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL5785803 0.77 PIK3CG (0.70) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL27658350 0.77 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48455 0.76 PIK3CD (0.75) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1784085 0.76 PIK3CG (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1786524 0.76 PIK3CG (0.75) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1784080 0.76 PIK3CG (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PIK3CD 10/4885PIK3CA 15/4885PIK3CG 16/4885

“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.