SCHEMBL12033247

SCHEMBL12033247

COc1ncc(O)c2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ GPR119 Q8TDV5 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRA6 Q16445 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL12033243 0.86 BUB1 (0.35) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL16475122 0.79 RET (0.40) BUB1GPR119SLC22A12
SCHEMBL21565885 0.76 ACLY (0.38) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL30500251 0.76 ACLY (0.38) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL31549560 0.74 BUB1 (0.39) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL29128021 0.73 BUB1 (0.39) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL25648570 0.72 ALDH1A1 (0.36) BUB1HSP90AA1HSP90AB1BCHEL3MBTL1
SCHEMBL12832975 0.72 BUB1 (0.38) BUB1HSP90AA1HSP90AB1BCHEGPR119
SCHEMBL31370728 0.71 CSNK2A1 (0.37) BCHEGPR119HTR6POLBL3MBTL1
SCHEMBL31751884 0.71 BCHE (0.35) BUB1BCHEGPR119GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 — — US disclosed
US-9132188-B2 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-15 — — US disclosed
US-8518927-B2 Chemically programmed vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-27 — — US disclosed
US-8518927-B2 Chemically programmed vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-27 — — US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 — — US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 — — 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-20110311516-A1 Chemically Programmed Vaccination CD69, CD4, ICOS BUB1 2111/4885HSP90AA1 692/4885HSP90AB1 500/4885

“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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