SCHEMBL3574663

SCHEMBL3574663

C[C@@H](Oc1cc(-n2cnc3cc(Br)ccc32)sc1C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.72
PLK3 Q9H4B4 9/20 0.67
CYP3A4 P08684 4/20 0.65
CYP2C9 P11712 3/20 0.65

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
SCHEMBL4846733 1.00 PLK1 (0.72) PLK1PLK3CYP3A4CYP2C9
SCHEMBL2990382 0.93 PLK1 (0.72) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3145169 0.93 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4405077 0.93 PLK1 (0.81) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3151029 0.92 PLK1 (0.68) PLK1PLK3CYP3A4CYP2C9
SCHEMBL5002751 0.89 PLK1 (0.71) PLK1PLK3CYP3A4CYP2C9
SCHEMBL14568244 0.89 PLK1 (0.63) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3572779 0.87 PLK1 (0.65) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4631593 0.87 PLK1 (0.87) PLK1PLK3CYP3A4CYP2C9
SCHEMBL5003213 0.86 PLK1 (0.87) PLK1PLK3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 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 (2 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-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS CYP3A5, CYP2B6, CYP3A4 PLK1 836/4885PLK3 1941/4885CYP3A4 3/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885CYP3A4 1/4885

“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.