SCHEMBL244927

SCHEMBL244927

CC(C)[Si](OC1C(=O)NC1c1ncccc1F)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GSK3B P49841 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
SYK P43405 2/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL4172309 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA1GSK3BTNKS2
SCHEMBL4185613 0.80 KMT2A (0.43) TNKS2
SCHEMBL4185609 0.80 KMT2A (0.43) TNKS2
SCHEMBL4185620 0.80 KMT2A (0.43) TNKS2
SCHEMBL4179962 0.79
SCHEMBL4179958 0.79
SCHEMBL4179952 0.79
SCHEMBL2759101 0.79 TNKS2 (0.36) ADORA3ADORA2AADORA1GSK3BTNKS2
SCHEMBL13417830 0.76 ADORA3 (0.38) ADORA3ADORA2AADORA1
SCHEMBL15888924 0.76 TNKS2 (0.34) ADORA3ADORA2AADORA1GSK3BTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588482-B1 PREPARATION OF TESETAXEL AND RELATED COMPOUNDS AND CORRESPONDING SYNTHESIS INTERMEDIATE ODONATE THERAPEUTICS LLC (US) 2018-10-24 EP disclosed
US-20160376284-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS ODONATE THERAPEUTICS, LLC 2016-12-29 US disclosed
US-9434740-B2 Taxane compounds, compositions and methods ODONATE THERAPEUTICS, LLC (US) 2016-09-06 US disclosed
US-9284327-B2 Taxane compounds, compositions and methods GFV, LLC (US) 2016-03-15 US disclosed
US-20150080578-A1 Taxane Compounds, Compositions and Methods ODONATE THERAPEUTICS, INC. 2015-03-19 US disclosed
US-20140249186-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS GFV, LLC (US) 2014-09-04 US disclosed
US-8785669-B2 Taxane compounds, compositions and methods GFV, LLC (US) 2014-07-22 US disclosed
US-8697892-B2 Taxane compounds, compositions and methods GFV, LLC (US) 2014-04-15 US disclosed
WO-2013162922-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS GENTA INCORPORATED (US) 2013-10-31 WO disclosed
EP-2588482-A1 PREPARATION OF TESETAXEL AND RELATED COMPOUNDS AND CORRESPONDING SYNTHESIS INTERMEDIATE Genta Incorporated (US) 2013-05-08 EP disclosed
US-20120220634-A1 Taxane Compounds, Compositions And Methods GENTA INCORPORATED (US) 2012-08-30 US disclosed
US-20120004429-A1 Taxane Compounds, Compositions And Methods GENTA INCORPORATED (US) 2012-01-05 US disclosed
WO-2012003199-A1 PREPARATION OF TESETAXEL AND RELATED COMPOUNDS AND CORRESPONDING SYNTHESIS INTERMEDIATE GENTA INCORPORATED (US) 2012-01-05 WO disclosed
US-6677456-B2 AS ANTITUMOR COMPOUND; CAN BE ORALLY ADMINISTERED DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
US-20020143178-A1 Pentacyclic taxan compound DAIICHI PHARMACEUTICAL CO., LTD. 2002-10-03 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 (6 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-20140249186-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS TOP2A, TOP1, TOP2B ADORA3 1180/4885ADORA2A 560/4885ADORA1 1268/4885
US-20160376284-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS TOP2A, TOP1, TOP2B ADORA3 1180/4885ADORA2A 560/4885ADORA1 1268/4885
US-20150080578-A1 Taxane Compounds, Compositions and Methods TOP2A, TOP1, TOP2B ADORA3 1180/4885ADORA2A 560/4885ADORA1 1268/4885
US-20120004429-A1 Taxane Compounds, Compositions And Methods TOP2A, TOP1, TOP2B ADORA3 1180/4885ADORA2A 560/4885ADORA1 1268/4885
US-20020143178-A1 Pentacyclic taxan compound TUBB6, TUBB1, TUBA1A ADORA3 3304/4885ADORA2A 2376/4885ADORA1 2270/4885
US-20120220634-A1 Taxane Compounds, Compositions And Methods TOP2A, TOP1, TOP2B ADORA3 1180/4885ADORA2A 560/4885ADORA1 1268/4885

“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.