SCHEMBL799259

SCHEMBL799259

Cc1nc(NC(=O)Nc2ccccc2C(=O)NC(C)C)sc1-c1csc(S(=O)(=O)N2CCC(O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 7/20 0.39
PIK3C2G O75747 1/20 0.38
PI4KA P42356 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
XIAP P98170 1/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
NR2F2 P24468 1/20 0.36
PIK3CB P42338 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
SCHEMBL799332 0.84 ALDH1A1 (0.37) PI4KBPIK3C2GPI4KAMAPTSMN1; SMN2
SCHEMBL1236720 0.80 PIK3CG (0.47) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CG
SCHEMBL172000 0.79 ALDH1A1 (0.38) PI4KBPI4KAMAPTLMNAKDM4E
SCHEMBL1237551 0.75 PIK3CG (0.46) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CG
SCHEMBL799251 0.73 PIK3CD (0.62) PI4KBSMN1; SMN2RAB9AXIAPPIK3CD
SCHEMBL1236616 0.73 PIK3CG (0.45) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CG
SCHEMBL1236893 0.72 PIK3CG (0.53) PI4KBPI4KAPIK3CDPIK3CAPIK3CG
SCHEMBL1235188 0.72 PIK3CG (0.51) PI4KBPIK3C2GLMNAPIK3CDPIK3CA
SCHEMBL1237555 0.72 PIK3CG (0.46) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CG
SCHEMBL1237271 0.71 MAPT (0.39) PIK3C2GMAPTSMN1; SMN2LMNARAB9A

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 PI4KB 28/4885PIK3C2G 71/4885PI4KA 36/4885

“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.