SCHEMBL4409824

SCHEMBL4409824

COC(=O)c1sc(Nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2N)cc1OCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.40
HRH3 Q9Y5N1 1/20 0.37
CHEK2 O96017 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 1/20 0.37
STS P08842 1/20 0.36
DYRK1A Q13627 1/20 0.36
EPHX2 P34913 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
SCHEMBL4395477 0.89 GPR119 (0.38) GPR119HRH3PDE4APDE4BPDE4C
SCHEMBL4412237 0.80 PLK1 (0.54) GPR119CHEK2
SCHEMBL4633156 0.78 GPR119 (0.38) GPR119ALDH1A1
SCHEMBL1291501 0.71 GPR119 (0.57) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL215797 0.70 GPR119 (0.59) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL31078515 0.69 PDE4B (0.48) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL215713 0.69 GPR119 (0.57) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL21570073 0.69 GPR119 (0.57) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL22587904 0.68 ALDH1A1 (0.68) GPR119ALDH1A1STSDYRK1AEPHX2
SCHEMBL25206434 0.68 GPR119 (0.56) GPR119HRH3CHEK2PDE4APDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 GPR119 3158/4885HRH3 2067/4885CHEK2 1286/4885

“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.