SCHEMBL4632609

SCHEMBL4632609

C[C@@H](Oc1cc(Nc2cc(Cl)c(CC[Si](C)(C)C)cc2[N+](=O)[O-])sc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.35
PLK3 Q9H4B4 7/20 0.34
CDK2 P24941 1/20 0.34
IKBKE Q14164 1/20 0.34
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
CXCR2 P25025 1/20 0.32
CYP3A4 P08684 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4632611 1.00 PLK1 (0.35) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL4562904 0.93 PLK1 (0.35) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL4402730 0.93 PLK1 (0.35) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL14029675 0.82 PLK1 (0.38) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3567289 0.81 PKM (0.39) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL3567288 0.81 PKM (0.39) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL4354039 0.78 AKR1C3 (0.41) PLK1PLK3MAPTAKR1C3AKR1C2
SCHEMBL4354043 0.78 AKR1C3 (0.41) PLK1PLK3MAPTAKR1C3AKR1C2
SCHEMBL2983664 0.77 AKR1C3 (0.43) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL2989966 0.77 PLK1 (0.35) PLK1PLK3CDK2IKBKEMAPT

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 3 patents. 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
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 PLK1 1718/4885PLK3 2097/4885CDK2 86/4885

“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.