SCHEMBL4230837

SCHEMBL4230837

[2H]OC(=O)C([2H])([2H])N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=NC12C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.44
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.33
MAPT P10636 6/20 0.33
TP53 P04637 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
SCN5A Q14524 1/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4229216 0.94 GCGR (0.47) GCGRALDH1A1HTTSHMT2MAPT
SCHEMBL950735 0.87 GCGR (0.42) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4230649 0.74 GCGR (0.42) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950833 0.72 ALDH1A1 (0.53) GCGRALDH1A1HTTMAPTTP53
Deuterium Oxide SCHEMBL952591 0.71 MAPT (0.49) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4502610 0.71 MAPT (0.40) GCGRALDH1A1MAPTTP53GAA
SCHEMBL949980 0.70 ALDH1A1 (0.53) GCGRALDH1A1HTTMAPTTP53
SCHEMBL949686 0.70 MAPT (0.45) GCGRALDH1A1HTTMAPTTP53
SCHEMBL3840369 0.69 GCGR (0.38) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4598474 0.68 MAPT (0.39) GCGRALDH1A1HTTMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1994010-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-11-26 EP disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 GCGR 571/4885ALDH1A1 974/4885HTT 358/4885

“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.