SCHEMBL6012170

SCHEMBL6012170

CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL296096 1.00 MEN1 (0.32) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL3179619 1.00 MEN1 (0.32) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL14640259 0.88 MEN1 (0.34) MEN1KMT2AMAPK1CA12CA14
SCHEMBL2671553 0.88 MEN1 (0.34) MEN1KMT2AMAPK1CA12CA14
SCHEMBL23833792 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL30198872 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL30198800 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL30198986 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL30198838 0.88 MEN1 (0.31) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL19921767 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655321-B1 PURIFICATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LTD (GB) 2017-02-15 EP disclosed
US-9381259-B2 Precursor compound of radioactive halogen-labeled organic compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2016-07-05 US disclosed
US-20160082135-A1 PRECURSOR COMPOUND OF RADIOACTIVE HALOGEN-LABELED ORGANIC COMPOUND NIHON MEDI-PHYSICS CO., LTD. (JP) 2016-03-24 US disclosed
US-9238596-B2 Process simplification for precursor compound GE HEALTHCARE LIMITED (GB) 2016-01-19 US disclosed
US-9238596-B2 Process simplification for precursor compound GE HEALTHCARE LIMITED (GB) 2016-01-19 US disclosed
US-9061977-B2 Purification of precursor compound by crystallisation GE HEALTHCARE LIMITED (GB) 2015-06-23 US disclosed
US-20140213817-A1 PRECURSOR COMPOUND OF RADIOACTIVE HALOGEN-LABELED ORGANIC COMPOUND NIHON-MEDI-PHYSICS CO., LTD. (JP) 2014-07-31 US disclosed
US-8758724-B2 Unnatural amino acid radiolabeling precursor NIHON MEDI-PHYSICS CO., LTD. (JP) 2014-06-24 US disclosed
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LIMITED (GB) 2013-10-10 US disclosed
US-20130217908-A1 STABILISATION OF RADIOPHARMACEUTICAL PRECURSORS GE HEALTHCARE LIMITED (GB) 2013-08-22 US disclosed
US-20130217908-A1 STABILISATION OF RADIOPHARMACEUTICAL PRECURSORS GE HEALTHCARE LIMITED (GB) 2013-08-22 US disclosed
US-20120229804-A1 BOROSILICATE GLASSWARE AND SILICA BASED QMA'S IN 18F NUCLEOPHILIC SUBSTITUTION: INFLUENCE OF ALUMINUM, BORON AND SILICON ON THE REACTIVITY OF THE 18F- ION MEDI-PHYSICS, INC. (US) 2012-09-13 US disclosed
WO-2012084831-A1 PURIFICATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LIMITED (GB) 2012-06-28 WO disclosed
WO-2012055992-A2 STABILISATION OF RADIOPHARMACEUTICAL PRECURSORS GE HEALTHCARE LIMITED (GB) 2012-05-03 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 (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-20140213817-A1 PRECURSOR COMPOUND OF RADIOACTIVE HALOGEN-LABELED ORGANIC COMPOUND BCAT2, SLCO2B1, ORC3 MEN1 3670/4885KMT2A 3576/4885ALDH1A1 2188/4885
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND PAICS, FGB, FIP1L1 MEN1 228/4885KMT2A 3638/4885ALDH1A1 1462/4885
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION RFC1, PAICS, RFC2 MEN1 541/4885KMT2A 4579/4885ALDH1A1 2720/4885
US-20160082135-A1 PRECURSOR COMPOUND OF RADIOACTIVE HALOGEN-LABELED ORGANIC COMPOUND BCAT2, SLCO2B1, ORC3 MEN1 3670/4885KMT2A 3576/4885ALDH1A1 2188/4885
US-20130217908-A1 STABILISATION OF RADIOPHARMACEUTICAL PRECURSORS AADAT, QPCT, SLC1A5 MEN1 26/4885KMT2A 2177/4885ALDH1A1 2037/4885

“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.