SCHEMBL245192

SCHEMBL245192

CC(C)[Si](OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ncccc1F)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
GRM1 Q13255 2/20 0.37
SCN9A Q15858 1/20 0.34
DTYMK P23919 1/20 0.33
POLB P06746 1/20 0.33
GPR119 Q8TDV5 7/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL2447629 1.00 GRM5 (0.37) GRM5GRM1SCN9ADTYMKPOLB
SCHEMBL4174183 0.88 GRM5 (0.34) GRM5GRM1SCN9AGPR119HRH3
SCHEMBL4188966 0.84 SCN9A (0.37) GRM5GRM1SCN9APOLBGPR119
SCHEMBL4188973 0.84 SCN9A (0.37) GRM5GRM1SCN9APOLBGPR119
SCHEMBL4188969 0.84 SCN9A (0.37) GRM5GRM1SCN9APOLBGPR119
SCHEMBL4180242 0.84 GPR119 (0.36) DTYMKPOLBGPR119KLK7KLK5
SCHEMBL4180237 0.84 GPR119 (0.36) DTYMKPOLBGPR119KLK7KLK5
SCHEMBL4180233 0.84 GPR119 (0.36) DTYMKPOLBGPR119KLK7KLK5
SCHEMBL15888923 0.82 GRM5 (0.34) GRM5GRM1SCN9ADTYMKPOLB
SCHEMBL14101233 0.82 SCN9A (0.39) GRM5GRM1SCN9ADTYMKPOLB

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 14 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
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 GRM5 957/4885GRM1 3318/4885SCN9A 4778/4885
US-20160376284-A1 TAXANE COMPOUNDS, COMPOSITIONS AND METHODS TOP2A, TOP1, TOP2B GRM5 957/4885GRM1 3318/4885SCN9A 4778/4885
US-20150080578-A1 Taxane Compounds, Compositions and Methods TOP2A, TOP1, TOP2B GRM5 957/4885GRM1 3318/4885SCN9A 4778/4885
US-20120004429-A1 Taxane Compounds, Compositions And Methods TOP2A, TOP1, TOP2B GRM5 957/4885GRM1 3318/4885SCN9A 4778/4885
US-20020143178-A1 Pentacyclic taxan compound TUBB6, TUBB1, TUBA1A GRM5 2926/4885GRM1 3856/4885SCN9A 4710/4885
US-20120220634-A1 Taxane Compounds, Compositions And Methods TOP2A, TOP1, TOP2B GRM5 957/4885GRM1 3318/4885SCN9A 4778/4885

“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.