SCHEMBL1890817

SCHEMBL1890817

O=C1NC(O)(O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PDK2 Q15119 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
BACE1 P56817 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43

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
SCHEMBL16098960 0.79 SMN1; SMN2 (0.44) SMN1; SMN2GSK3BALDH1A1HSP90AA1HSP90AB1
SCHEMBL21261434 0.76 MAPT (0.55) SMN1; SMN2GSK3BALDH1A1HSP90AA1HSP90AB1
SCHEMBL10602199 0.76 GSK3B (0.48) SMN1; SMN2GSK3BALDH1A1HSP90AA1HSP90AB1
SCHEMBL2144205 0.74 GSK3B (0.46) SMN1; SMN2GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL29155422 0.74 CA1 (0.46) SMN1; SMN2GSK3BALDH1A1HSP90AA1HSP90AB1
SCHEMBL30683788 0.74 CA1 (0.46) SMN1; SMN2GSK3BALDH1A1HSP90AA1HSP90AB1
SCHEMBL13401678 0.73
SCHEMBL29695445 0.72 TNKS (0.48) SMN1; SMN2GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL15914816 0.72 TNKS (0.48) SMN1; SMN2GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL21261611 0.71 MAPT (0.50) SMN1; SMN2KDM4EPDK2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079877-B2 Process for preparing chiral compounds PFIZER INC. (US) 2015-07-14 US disclosed
EP-2185713-B1 PROCESS FOR PREPARING CHIRAL COMPOUNDS PFIZER PROD INC (US) 2014-09-10 EP disclosed
EP-2532660-B1 Process for preparing chiral compounds PFIZER PROD INC (US) 2014-09-10 EP disclosed
US-20140187794-A1 Process for Preparing Chiral Compounds PFIZER INC. (US) 2014-07-03 US disclosed
US-20140065407-A1 MANUFACTURE OF LITHOGRAPHIC PRINTING PLATE PRECURSORS FOR ABLATION IMAGING KODAK REALTY INC. 2014-03-06 US disclosed
US-8642783-B2 Process for preparing chiral compounds PFIZER INC. (US) 2014-02-04 US disclosed
EP-2205551-B1 METHOD OF PRODUCING AMINO DIALKOXY ALDEHYDES VIA HYDROFORMYLATION REDDY S LAB EU LTD DR (GB) 2014-01-08 EP disclosed
EP-2532660-A1 Synthetic intermediates prepared using a 2-deoxyribose-5-phosphate aldolase (DERA) chemoenzymatic process Pfizer Products Inc. (US) 2012-12-12 EP disclosed
WO-2012106169-A1 METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 2012-08-09 WO disclosed
US-20120192741-A1 METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATES NPEC INC. 2012-08-02 US disclosed
WO-2012099833-A1 PREPARING LITHOGRAPHIC PRINTING PLATES BY ABLATION IMAGING EASTMAN KODAK COMPANY (US) 2012-07-26 WO disclosed
US-20120189770-A1 PREPARING LITHOGRAPHIC PRINTING PLATES BY ABLATION IMAGING KODAK REALTY INC. 2012-07-26 US disclosed
US-20110118476-A1 Process for Preparing Chiral Compounds PFIZER INC. 2011-05-19 US disclosed
EP-2205551-A1 METHOD OF PRODUCING AMINO DIALKOXY ALDEHYDES VIA HYDROFORMYLATION DR REDDY'S LABORATORIES (EU) LIMITED (GB) 2010-07-14 EP disclosed
EP-2185713-A2 PROCESS FOR PREPARING CHIRAL COMPOUNDS Pfizer Products Inc. (US) 2010-05-19 EP disclosed
WO-2009019561-A2 PROCESS FOR PREPARING CHIRAL COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-12 WO disclosed
WO-2008134327-A1 METHOD OF PRODUCING AMINO DIALKOXY ALDEHYDES VIA HYDROFORMYLATION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 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 (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-20140187794-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD SMN1; SMN2 3910/4885GSK3B 472/4885ALDH1A1 76/4885
US-20110118476-A1 Process for Preparing Chiral Compounds DERA, ALDOA, DPYD SMN1; SMN2 3910/4885GSK3B 472/4885ALDH1A1 76/4885

“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.