SCHEMBL4633176

SCHEMBL4633176

COc1ccc(COc2cc(Nc3cc(O[C@H](C)c4ccccc4Cl)c(C(=O)O)s3)c(N)cc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.40
PLK3 Q9H4B4 6/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK2 P24941 1/20 0.38
IKBKE Q14164 1/20 0.38
CSNK2A2 P19784 3/20 0.35
CSNK2A1 P68400 3/20 0.35
AAK1 Q2M2I8 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL4405104 0.94 PLK1 (0.40) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL2985940 0.89 PLK1 (0.42) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL5008916 0.88 ALDH1A1 (0.38) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL5008912 0.88 ALDH1A1 (0.38) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL5140762 0.83 PLK1 (0.42) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL2992276 0.83 PLK1 (0.42) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL4398208 0.83 PLK1 (0.37) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL2983664 0.81 AKR1C3 (0.43) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL2983660 0.81 AKR1C3 (0.43) PLK1PLK3KDM4ECYP1A2CYP2C9
SCHEMBL3577059 0.80 PLK1 (0.40) PLK1PLK3CYP2C9CDK2IKBKE

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 2097/4885KDM4E 787/4885

“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.