SCHEMBL5003591

SCHEMBL5003591

CC(=O)c1ccc(Nc2cc(O[C@H](C)c3ccccc3C(F)(F)F)c(C(=O)O)s2)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PLK1 P53350 17/20 0.41
PLK3 Q9H4B4 9/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4395211 0.92 PLK1 (0.41) AKR1C3AKR1C2PLK1PLK3CYP3A4
SCHEMBL3569266 0.89 PLK1 (0.42) PLK1PLK3CYP3A4CYP2C9
SCHEMBL5002794 0.87 AKR1C3 (0.42) AKR1C3AKR1C2PLK1PLK3GAA
SCHEMBL5002792 0.87 AKR1C3 (0.42) AKR1C3AKR1C2PLK1PLK3GAA
SCHEMBL3156518 0.81 PLK1 (0.42) PLK1PLK3CYP3A4CYP2C9
SCHEMBL2986592 0.80 PLK1 (0.38) PLK1PLK3CYP3A4CYP2C9
SCHEMBL4408594 0.79 AKR1C3 (0.40) AKR1C3AKR1C2PLK1PLK3GAA
SCHEMBL2991160 0.78 PLK1 (0.50) PLK1PLK3CYP3A4CYP2C9
SCHEMBL2982030 0.78 PLK1 (0.44) PLK1PLK3CYP3A4CYP2C9
SCHEMBL3577258 0.77 PLK1 (0.38) AKR1C3AKR1C2PLK1PLK3CYP3A4

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 AKR1C3 591/4885AKR1C2 518/4885PLK1 1718/4885

“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.