SCHEMBL16296392

SCHEMBL16296392

O=C(O)n1nnn(-c2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
PDE10A Q9Y233 4/20 0.42
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
NPY5R Q15761 1/20 0.42
PIM1 P11309 6/20 0.42
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TOP2A P11388 1/20 0.40
SLC5A1 P13866 4/20 0.39

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
SCHEMBL16296306 0.85 PIM1 (0.44) NOTUMRXRAGRIN1GRIN2BNPY5R
SCHEMBL16303974 0.81 NLRP3 (0.45) NOTUMRXRAGRIN1GRIN2BPIM1
SCHEMBL18504510 0.81 PIM1 (0.46) PDE10ARXRAGRIN1GRIN2BNPY5R
SCHEMBL16296304 0.80 NOTUM (0.40) NOTUMRXRAGRIN1GRIN2BNPY5R
SCHEMBL16296402 0.79 IDO1 (0.48) NOTUM
SCHEMBL16303967 0.78 PIM1 (0.38) RXRAGRIN1GRIN2BNPY5RPIM1
SCHEMBL16297209 0.78 PIM1 (0.39) RXRAGRIN1GRIN2BNPY5RPIM1
SCHEMBL16303984 0.78 PIM1 (0.39) NOTUMRXRAGRIN1GRIN2BNPY5R
SCHEMBL16297293 0.78 HDAC8 (0.39) RXRAGRIN1GRIN2BNPY5RPIM1
SCHEMBL16297298 0.78 AKR1C3 (0.48) RXRAGRIN1GRIN2BPIM1SLC5A1

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
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
CN-105283452-A Novel tetrazolone derivatives HOFFMANN LA ROCHE 2016-01-27 CN claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
CN-105283452-A Novel tetrazolone derivatives HOFFMANN LA ROCHE 2016-01-27 CN disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 NOTUM 3450/4885PDE10A 3762/4885RXRA 595/4885

“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.