SCHEMBL3793230

SCHEMBL3793230

CC(C)(C)C(=O)Nc1cccc(Cl)c1NC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 6/20 0.55
▸ PDK2 Q15119 6/20 0.55
▸ PDK3 Q15120 6/20 0.55
▸ PDK4 Q16654 6/20 0.55
▸ CETP P11597 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ CXCL8 P10145 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12666582 0.89 PDK1 (0.67) PDK1PDK2PDK3PDK4LMNA
SCHEMBL30525296 0.87 CETP (0.59) CETPLMNAPOLBMEN1KMT2A
SCHEMBL15621420 0.84 PDK1 (0.69) PDK1PDK2PDK3PDK4CETP
SCHEMBL29524443 0.84 PDK1 (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL3535796 0.84 PDK1 (0.68) PDK1PDK2PDK3PDK4CETP
SCHEMBL14866056 0.83 PDK1 (0.70) PDK1PDK2PDK3PDK4LMNA
SCHEMBL2432475 0.83 LMNA (0.72) CETPLMNAPOLBKMT2AHTT
SCHEMBL3785961 0.82 CETP (0.58) PDK1PDK2PDK3PDK4CETP
SCHEMBL17855986 0.81 PDK1 (0.58) PDK1PDK2PDK3PDK4MEN1
SCHEMBL30447460 0.81 PDK1 (0.58) PDK1PDK2PDK3PDK4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PDK1 2822/4885PDK2 1089/4885PDK3 1054/4885

“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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