SCHEMBL2302107

SCHEMBL2302107

Cn1nccc1-c1csc(N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
CTSA P10619 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
PORCN Q9H237 1/20 0.35
ABL1 P00519 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32

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
SCHEMBL15911041 0.75 GRM1 (0.32)
SCHEMBL1529944 0.74 AKT1 (0.50) AKT1CTSASLC13A5PORCNABL1
SCHEMBL17683513 0.69 CTSA (0.41) AKT1CTSASLC13A5PORCNABL1
SCHEMBL17130064 0.69 PIK3CD (0.41) AKT1CTSASLC13A5ABL1PIK3CD
SCHEMBL5263215 0.69 CES2 (0.38) ALDH1A1LMNA
SCHEMBL1529722 0.69 AKT1 (0.50) AKT1CTSAPORCNABL1MEN1
SCHEMBL2299249 0.68 ALDH1A1 (0.35) SLC13A5ALDH1A1KDM4ENPC1LMNA
SCHEMBL12385389 0.68 AKT1 (0.39) AKT1CTSASLC13A5PORCNABL1
SCHEMBL937627 0.63 DAO (0.42) CTSASLC13A5ALDH1A1MAPT
SCHEMBL4583183 0.62 F11 (0.34)

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-8592475-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
US-20110196009-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2011-08-11 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-20110196009-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885CTSA 1485/4885SLC13A5 3919/4885

“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.