SCHEMBL682098

SCHEMBL682098

CC(=O)C1OC(C)(C)O[C@H]1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.36
PGD P52209 1/20 0.34
CA2 P00918 1/20 0.31

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
SCHEMBL7554691 1.00 MAPK1 (0.42) MAPK1NPSR1GAAPGDCA2
SCHEMBL12638787 1.00 MAPK1 (0.42) MAPK1NPSR1GAAPGDCA2
SCHEMBL7551362 1.00 MAPK1 (0.42) MAPK1NPSR1GAAPGDCA2
SCHEMBL18219198 0.90 SUCNR1 (0.38) MAPK1NPSR1GAAPGD
SCHEMBL18219558 0.90 SUCNR1 (0.38) MAPK1NPSR1GAAPGD
SCHEMBL16639432 0.85 MAPK1 (0.37) MAPK1NPSR1GAAPGD
SCHEMBL14944924 0.85 MAPK1 (0.37) MAPK1NPSR1GAAPGD
SCHEMBL16488404 0.85 MAPK1 (0.37) MAPK1NPSR1GAAPGD
SCHEMBL14944925 0.85 MAPK1 (0.37) MAPK1NPSR1GAAPGD
SCHEMBL16883364 0.84 MAPK1 (0.34) MAPK1NPSR1PGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835693-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-16 US disclosed
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-01-09 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-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-11-17 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-7939685-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-10 US disclosed
US-20100185014-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts FMC CORPORATION 2010-07-22 US disclosed
US-7718818-B2 Hydroxylation of beta-dicarbonyls with zirconium catalysts E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-18 US disclosed
US-20080306259-A1 HYDROXYLATION OF BETA-DICARBONYLS WITH ZIRCONIUM CATALYSTS FMC CORPORATION 2008-12-11 US disclosed
US-7414157-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-19 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 (5 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-20100185014-A1 Hydroxylation of Beta-Dicarbonyls with Zirconium Catalysts CBR3, CBR1, NOXO1 MAPK1 2715/4885NPSR1 2848/4885GAA 1713/4885
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 MAPK1 3044/4885NPSR1 1070/4885GAA 3581/4885
US-20080306259-A1 HYDROXYLATION OF BETA-DICARBONYLS WITH ZIRCONIUM CATALYSTS CBR3, CBR1, ASPH MAPK1 2394/4885NPSR1 2866/4885GAA 1196/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A MAPK1 3256/4885NPSR1 1350/4885GAA 3295/4885
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 MAPK1 3044/4885NPSR1 1070/4885GAA 3581/4885

“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.