SCHEMBL799116

SCHEMBL799116

CCCNS(=O)(=O)c1cncc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 6/20 0.38
HTT P42858 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PNMT P11086 2/20 0.36
NAMPT P43490 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL19756420 0.87 IKBKB (0.44) PIK3CDPIK3CGSMN1; SMN2GAAHTT
SCHEMBL25820334 0.78 PIK3CD (0.44) PIK3CDPIK3CGSMN1; SMN2LMNAALDH1A1
SCHEMBL16775756 0.77 KMT2A (0.53) CA12CA1CA2CA9HTR2C
SCHEMBL9229020 0.76 CA1 (0.69) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL30635140 0.75 CA1 (0.53) CA12CA1CA2CA9PIK3CD
SCHEMBL14813120 0.74 PIK3CD (0.39) CA12CA1CA2CA9PIK3CD
SCHEMBL11642938 0.74 MEN1 (0.51) CA12CA1CA2CA9PIK3CD
SCHEMBL799288 0.73 GPR55 (0.42) PIK3CDPIK3CG
SCHEMBL19321631 0.72 APLNR (0.53) CA12CA1CA2CA9PIK3CD
SCHEMBL16831885 0.71 SMN1; SMN2 (0.61) CA12CA1CA2CA9SMN1; 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-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 CA12 4326/4885CA1 4156/4885CA2 3069/4885

“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.