SCHEMBL271075

SCHEMBL271075

CC(C)(C)OC(=O)c1ccc(I)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SLC7A5 Q01650 1/20 0.40
ALOX15 P16050 1/20 0.39
SRD5A1 P18405 1/20 0.38
ELANE P08246 2/20 0.38
STAT3 P40763 2/20 0.36
KDM4E B2RXH2 2/20 0.36
EGFR P00533 1/20 0.35
GABRA5 P31644 1/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14059496 0.90 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL828480 0.84 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2982404 0.83 CISD2 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6421658 0.81 CNR1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29149102 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17215529 0.81 CES2 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7078684 0.81 STAT3 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28409328 0.81 CFTR (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL277597 0.81 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL410887 0.80 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360161-B1 Preparation and use of magnesium amides MUNICHEM GMBH (DE) 2016-08-31 EP disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
EP-2360161-A1 Preparation and use of magnesium amides Ludwig-Maximilians-Universität München (DE) 2011-08-24 EP disclosed
EP-1981893-B1 PREPARATION AND USE OF MAGNESIUM AMIDES UNIV MUENCHEN L MAXIMILIANS (DE) 2011-06-08 EP disclosed
US-20100144516-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-06-10 US disclosed
EP-2142556-A1 PREPARATION AND USE OF MAGNESIUM AMIDES Ludwig-Maximilians-Universität München (DE) 2010-01-13 EP disclosed
US-20090176988-A1 Preparation and Use of Magnesium Amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2009-07-09 US disclosed
EP-1981893-A1 PREPARATION AND USE OF MAGNESIUM AMIDES Ludwig-Maximilians-Universität München (DE) 2008-10-22 EP disclosed
WO-2008087057-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2008-07-24 WO disclosed
WO-2007082911-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-07-26 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 (1 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-20090176988-A1 Preparation and Use of Magnesium Amides MLX, GLRX3, SFXN3 GABRA1 735/4885GABRG2 434/4885GABRB3 408/4885

“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.