SCHEMBL14029675

SCHEMBL14029675

COC(=O)c1sc(Nc2cc(Cl)c(OCC[Si](C)(C)C)cc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.38
PLK3 Q9H4B4 10/20 0.38
IKBKE Q14164 2/20 0.38
CDK2 P24941 1/20 0.38
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL4562904 0.89 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL4402730 0.89 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3254457 0.83 ALDH1A1 (0.38) PLK1PLK3IKBKECDK2ALDH1A1
SCHEMBL4632609 0.82 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL4632611 0.82 PLK1 (0.35) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3146777 0.81 PKM (0.41) PLK1PLK3IKBKECDK2ALDH1A1
SCHEMBL5582470 0.79 AKR1B10 (0.39) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2982204 0.79 AKR1B10 (0.39) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL13592863 0.79 BACE1 (0.38) PLK1PLK3IKBKECDK2ALDH1A1
SCHEMBL3265422 0.79 MEN1 (0.40) PLK1PLK3IKBKECDK2ALDH1A1

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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885IKBKE 1819/4885

“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.