SCHEMBL262398

SCHEMBL262398

CC(C(=O)O)P(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
EPHX2 P34913 2/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL16689618 0.85 HTT (0.36) HTTEPHX2
SCHEMBL2155910 0.81 HTT (0.38) HTTEPHX2
SCHEMBL2154988 0.80 HTT (0.33) HTTEPHX2
SCHEMBL1443822 0.80 HTT (0.37) HTTEPHX2
SCHEMBL9009145 0.79 HTT (0.32) HTTEPHX2
SCHEMBL689250 0.78 HTT (0.34) HTTEPHX2
SCHEMBL17032653 0.77 HTT (0.33) HTT
SCHEMBL4050 0.75 POLB (0.44)
SCHEMBL2986780 0.75 CHRM1 (0.35) HTT
SCHEMBL2987567 0.74 HTT (0.35) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
EP-2297139-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-03-23 EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 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 (4 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B HTT 244/4885EPHX2 1713/4885PGK1 4819/4885
US-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 HTT 4806/4885EPHX2 4214/4885PGK1 1213/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO HTT 3843/4885EPHX2 1746/4885PGK1 2218/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 HTT 1267/4885EPHX2 1041/4885PGK1 1338/4885

“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.