SCHEMBL4807351

SCHEMBL4807351

CC(C(N)CO)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 2/20 0.31
CETP P11597 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 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
SCHEMBL3883303 1.00 TSHR (0.33) TSHRTDP1CYP2D6CETPSPHK1
SCHEMBL4807354 1.00 TSHR (0.33) TSHRTDP1CYP2D6CETPSPHK1
SCHEMBL13395753 1.00 TSHR (0.33) TSHRTDP1CYP2D6CETPSPHK1
Hydrochloric Acid SCHEMBL3171229 0.97 TSHR (0.32) TSHRTDP1CYP2D6CETPSPHK1
SCHEMBL13395751 0.76
SCHEMBL13395698 0.76
SCHEMBL13395755 0.72 TSHR (0.37) TSHRTDP1
SCHEMBL13395757 0.72 TSHR (0.37) TSHRTDP1
SCHEMBL2888442 0.72 CETP (0.33) CETP
SCHEMBL13395730 0.72 TSHR (0.37) TSHRTDP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
EP-2970240-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-01-10 EP disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
WO-2014141104-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-7371867-B2 Non-racemic trifluoroleucine, and methods of making and using TRUSTEES OF TUFTS COLLEGE (US) 2008-05-13 US disclosed
US-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it TRUSTEES OF TUFTS COLLEGE (US) 2007-05-17 US disclosed
US-7132559-B2 Non-racemic hexafluoroleucine, and methods of making and using it TRUSTEES OF TUFTS COLLEGE (US) 2006-11-07 US disclosed
WO-2004092155-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2004-10-28 WO disclosed
US-20040138493-A1 Non-racemic hexafluoreleucine, and methods of making and using it TRUSTEES OF TUFTS COLLEGE 2004-07-15 US disclosed
WO-2002068592-A2 NON-RACEMIC HEXAFLUORELEUCINE, AND METHODS OF MAKING AND USING IT TRUSTEES OF TUFTS COLLEGE (US) 2002-09-06 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 (6 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TSHR 3637/4885TDP1 1106/4885CYP2D6 1682/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TSHR 3637/4885TDP1 1106/4885CYP2D6 1682/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A TSHR 3637/4885TDP1 1106/4885CYP2D6 1682/4885
US-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it CRYZ, FABP5, FAU TSHR 1201/4885TDP1 3159/4885CYP2D6 4227/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A TSHR 3637/4885TDP1 1106/4885CYP2D6 1682/4885
US-20040138493-A1 Non-racemic hexafluoreleucine, and methods of making and using it NPFFR1, FNTB, CRYZ TSHR 1375/4885TDP1 3871/4885CYP2D6 4133/4885

“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.