SCHEMBL14670866

SCHEMBL14670866

CCC(C)(C)OCC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
ALDH1A1 P00352 5/20 0.37
ATM Q13315 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
RECQL P46063 1/20 0.31
CNR2 P34972 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL4569273 0.85 TP53 (0.42) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL19185518 0.78 NCF1 (0.42) ALDH1A1TSHR
SCHEMBL10263944 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL22508023 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15295187 0.76 L3MBTL1 (0.45) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL12522316 0.75 TP53 (0.50) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL15387041 0.74 TP53 (0.44) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL16127663 0.74 TP53 (0.44) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL436002 0.74 TP53 (0.44) TP53L3MBTL1HTTGPR119ALDH1A1
SCHEMBL4402796 0.73 ALDH1A1 (0.44) TP53L3MBTL1HTTGPR119ALDH1A1

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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TP53 544/4885L3MBTL1 4198/4885HTT 823/4885

“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.