SCHEMBL3789950

SCHEMBL3789950

CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CYP17A1 P05093 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
STAT3 P40763 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
PSMB8 P28062 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4168732 0.89 KMT2A (0.62) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL6680965 0.89 ALDH1A1 (0.46) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL3783697 0.88 CA12 (0.48) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL4299949 0.87 MEN1 (0.44) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL16303890 0.87 EPHX1 (0.58) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL4299453 0.87 MEN1 (0.54) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL28738831 0.86 PDK1 (0.56) ALDH1A1KMT2AMEN1PDK1PDK2
SCHEMBL6856839 0.86 PDK1 (0.58) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL17507346 0.85 CA12 (0.44) CA12CA1CA9KMT2AMEN1
SCHEMBL12031288 0.85 ALDH1A1 (0.42) CA12CA1CA9ALDH1A1KMT2A

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 CA12 1438/4885CA1 3273/4885CA9 816/4885

“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.