SCHEMBL14172964

SCHEMBL14172964

CC(C)(C)OC(=O)/N=C(/NCCOc1cccc(-c2ccc(CN)cc2OCCN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ SUCNR1 Q9BXA5 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13904334 0.93 PDK2 (0.38) PDK2CA12CA1CA2CA9
SCHEMBL10064286 0.87 PDK2 (0.45) PDK2CA12CA1CA2CA9
SCHEMBL14172965 0.86 PDK2 (0.40) PDK2L3MBTL1BCHECNR2
SCHEMBL4923313 0.86 PDK2 (0.40) PDK2L3MBTL1BCHECNR2
SCHEMBL13904290 0.85 PDK2 (0.39) PDK2CA12CA1CA2CA9
SCHEMBL13904182 0.82 PDK2 (0.38) PDK2CA12CA1CA2CA9
SCHEMBL13904225 0.81 PTGDR2 (0.41) PDK2CA12CA1CA2CA9
SCHEMBL13904212 0.79 PDK2 (0.33) PDK2CA1CA2CYP3A4
SCHEMBL15125597 0.79 POLB (0.46) PDK2CA12CA1CA2CA9
SCHEMBL13904228 0.78 ALDH1A1 (0.39) PDK2CA12CA1CA2CA9

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-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — 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-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers CBR3, CBR1, KCNQ3 PDK2 4023/4885CA12 3091/4885CA1 3505/4885

“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.

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