SCHEMBL5069112

SCHEMBL5069112

CC(C)(C)N(C(=O)O)[C@@H](CO)CSCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CYP2C19 P33261 1/20 0.41
ACE P12821 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PPARD Q03181 2/20 0.37

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
SCHEMBL5066181 0.82 ALPI (0.43) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL18344466 0.82 ALPI (0.43) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL4064873 0.82 ALPI (0.43) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5065706 0.79 KMT2A (0.47) CYP2C19MEN1KMT2AHTTL3MBTL1
SCHEMBL1021850 0.78 LMNA (0.44) CYP2C19MEN1KMT2AHTTL3MBTL1
SCHEMBL16195856 0.78
SCHEMBL2447894 0.76 SLC1A1 (0.45) PPARGPPARAALDH1A1
SCHEMBL20646317 0.76 ACE (0.38) PPARGPPARACYP2C19ACE
SCHEMBL16932215 0.74 MME (0.46) PPARGPPARAACEHTTALDH1A1
SCHEMBL16932216 0.74 MME (0.46) PPARGPPARAACEHTTALDH1A1

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 PPARG 2525/4885PPARA 2941/4885CYP2C19 3729/4885

“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.