SCHEMBL15260635

SCHEMBL15260635

CC(C)(C)[Si](C)(C)OCC(OS(C)(=O)=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
AADAT Q8N5Z0 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP26A1 O43174 1/20 0.31
HSD11B1 P28845 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CNR2 P34972 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
SCHEMBL15260634 1.00 AOC3 (0.38) AOC3AADATSLC7A5CA2CA12
SCHEMBL22264315 0.85 APLNR (0.34) CA2CA12CA1CA9IDO1
SCHEMBL15261181 0.85 AOC3 (0.38) AOC3CA2IDO1
SCHEMBL22264292 0.85 AOC3 (0.38) AOC3CA2IDO1
SCHEMBL15261182 0.85 AOC3 (0.38) AOC3CA2IDO1
SCHEMBL22264312 0.85 APLNR (0.34) CA2CA12CA1CA9IDO1
SCHEMBL719092 0.84 CYP24A1 (0.35) CA2CA12CA1CA9
SCHEMBL15229196 0.82 SLC6A2 (0.35) CNR2
SCHEMBL15229326 0.82 SLC6A2 (0.35) CNR2
SCHEMBL15229330 0.81 SLC6A4 (0.34) CA2IDO1

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-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP disclosed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP disclosed
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-05-10 US disclosed
US-9708290-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-07-18 US disclosed
US-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-05-05 US disclosed
US-9259470-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-16 US disclosed
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-09-04 US disclosed
US-8697715-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-04-15 US disclosed
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-09-26 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 (4 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-20160122316-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AOC3 4750/4885AADAT 1850/4885SLC7A5 1564/4885
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AOC3 4750/4885AADAT 1850/4885SLC7A5 1564/4885
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AOC3 4750/4885AADAT 1850/4885SLC7A5 1564/4885
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AOC3 4750/4885AADAT 1850/4885SLC7A5 1564/4885

“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.