SCHEMBL9979878

SCHEMBL9979878

COC(=O)C1OC(C)(C)O[C@H]1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ITGA4 P13612 1/20 0.47
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PGD P52209 1/20 0.39
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 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
SCHEMBL12826506 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL10266772 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL675867 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL2749036 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL18219200 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL2526095 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885970 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL527434 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885973 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL13587126 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US disclosed
US-20130256595-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130256595-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8324284-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-12-04 US disclosed
US-8202911-B2 Migrastatin analog compositions and uses thereof CORNELL RESEARCH FOUNDATION, INC. (US) 2012-06-19 US disclosed
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 US disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 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-20070037783-A1 Migrastatin analogs and uses thereof FOXM1, MTX1, C3AR1 ALDH1A1 1571/4885MAPT 3338/4885ITGA4 729/4885
US-20090124662-A1 Migrastatin analogs in the treatment of cancer MTX1, MTNR1B, MTNR1A ALDH1A1 2348/4885MAPT 4422/4885ITGA4 1004/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A ALDH1A1 1845/4885MAPT 3280/4885ITGA4 842/4885
US-20070037852-A1 Migrastatin analogs and uses thereof KDR, MTX1, FOXM1 ALDH1A1 1124/4885MAPT 3143/4885ITGA4 914/4885

“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.