SCHEMBL1851971

SCHEMBL1851971

COCCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
HIF1A Q16665 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL17078435 0.85 PTPRC (0.50) MEN1KMT2AL3MBTL1
SCHEMBL13449248 0.84 HPGD (0.44) MEN1KMT2ARAB9ACA1CA2
SCHEMBL12350707 0.84 MAP4K4 (0.40) MAP4K4MEN1KMT2ARAB9AGAA
SCHEMBL3264202 0.83 GAA (0.56) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL2236352 0.83 CA1 (0.42) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL18343188 0.82 ALDH1A1 (0.47) RAB9AGAACA1CA2CA9
SCHEMBL30874514 0.82 CA1 (0.46) MEN1KMT2ACA1CA2CA9
SCHEMBL16150246 0.79 HSD17B10 (0.52) GAACA1CA2CA9HIF1A
SCHEMBL2357751 0.79 ALDH1A1 (0.54) MEN1KMT2ARAB9AGAAL3MBTL1
SCHEMBL7139795 0.79 CA1 (0.48) MEN1KMT2ACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981264-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-25 EP disclosed
US-9617260-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
US-20160280706-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 US disclosed
EP-2981264-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-02-10 EP disclosed
WO-2014161799-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (2 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 MAP4K4 2247/4885MEN1 4760/4885KMT2A 941/4885
US-20160280706-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MAP4K4 526/4885MEN1 4519/4885KMT2A 2378/4885

“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.