SCHEMBL799332

SCHEMBL799332

Cc1nc(NC(=O)Nc2ccccc2OCCC(C)C)sc1-c1csc(S(=O)(=O)N2CCC(O)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALOX12 P18054 1/20 0.37
PI4KB Q9UBF8 4/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIK3C2G O75747 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
CFTR P13569 1/20 0.35

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
SCHEMBL799259 0.84 PI4KB (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL799156 0.81 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL1236720 0.78 PIK3CG (0.47) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CB
SCHEMBL1237551 0.74 PIK3CG (0.46) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CB
SCHEMBL799253 0.74 PIK3CD (0.58) MEN1KMT2API4KBSMN1; SMN2PIK3CD
SCHEMBL1236616 0.71 PIK3CG (0.45) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CB
SCHEMBL1235188 0.70 PIK3CG (0.51) KMT2ALMNAHTTPI4KBPIK3C2G
SCHEMBL1237555 0.70 PIK3CG (0.46) PI4KBPIK3C2GPIK3CDPIK3CAPIK3CB
SCHEMBL1237271 0.69 MAPT (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL1614199 0.69 PIK3CG (0.43) PI4KBPIK3C2GPI4KAPIK3CDPIK3CA

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 ALDH1A1 3750/4885MAPT 2574/4885HPGD 3058/4885

“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.