SCHEMBL1751319

SCHEMBL1751319

COC(=O)[C@H](C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 2/20 0.35
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL2670343 1.00 BTN3A1 (0.35) BTN3A1CA14CA12SMN1; SMN2CA1
SCHEMBL2670209 1.00 BTN3A1 (0.35) BTN3A1CA14CA12SMN1; SMN2CA1
SCHEMBL32668778 0.81 BTN3A1 (0.33) BTN3A1SMN1; SMN2CA1CA2
SCHEMBL1485422 0.81 BTN3A1 (0.33) BTN3A1SMN1; SMN2CA1CA2
SCHEMBL1485424 0.81 BTN3A1 (0.33) BTN3A1SMN1; SMN2CA1CA2
SCHEMBL5027923 0.81 GABRR1 (0.34) BTN3A1
SCHEMBL9364993 0.81 GABRR1 (0.34) BTN3A1
SCHEMBL16840474 0.81 TSHR (0.31) BTN3A1
SCHEMBL5027924 0.81 GABRR1 (0.34) BTN3A1
SCHEMBL5964084 0.81 CA12 (0.33) BTN3A1CA14CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES MIDCAP FINANCIAL TRUST, AS AGENT 2017-09-21 US disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 US disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US disclosed
US-7968736-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof University of Pittsburgh—of the Commonwelth Systems of Higher Education (US) 2011-06-28 US disclosed
EP-2097400-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-09-09 EP disclosed
US-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER 2009-02-05 US disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 WO disclosed
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof PITTSBURGH, UNIVERSITY OF 2006-11-30 US disclosed
US-7122686-B2 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-10-17 US disclosed
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-23 US disclosed
WO-2004022552-A1 ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF UNIVERSITY OF PITTSBURGH (US) 2004-03-18 WO 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 (8 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-20090036691-A1 ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF RRS1, RPS3A, RPS3 BTN3A1 1581/4885CA14 2961/4885CA12 3912/4885
US-20060270862-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof RRS1, RPS6KA3, RPS6KA4 BTN3A1 1876/4885CA14 3567/4885CA12 4294/4885
US-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 BTN3A1 4066/4885CA14 3264/4885CA12 3042/4885
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT BTN3A1 3198/4885CA14 4401/4885CA12 4402/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 BTN3A1 4066/4885CA14 3264/4885CA12 3042/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 BTN3A1 4066/4885CA14 3264/4885CA12 3042/4885
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT BTN3A1 3198/4885CA14 4401/4885CA12 4402/4885
US-20040186165-A1 Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof DECR1, RRS1, WEE1 BTN3A1 1447/4885CA14 3190/4885CA12 3810/4885

“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.