Sugi Predict

Sugi Predict / Compounds / SCHEMBL8044993

SCHEMBL8044993

SCHEMBL8044993

C=C(/N=C/c1ccccc1C(F)(F)F)O[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.46
▸ GRIN3B O60391 2/20 0.46
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ GRIN2C Q14957 2/20 0.46
▸ GRIN3A Q8TCU5 2/20 0.46
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8031334 0.82 MYC (0.37) MAOB
SCHEMBL2803312 0.79 L3MBTL1 (0.40) LMNAKDM4EHPGDMAPTNPC1
SCHEMBL2803314 0.79 L3MBTL1 (0.40) LMNAKDM4EHPGDMAPTNPC1
SCHEMBL13928905 0.78 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13928912 0.78 MAPT (0.39) LMNAKDM4ENFKB1MAPTNPC1
SCHEMBL8041987 0.75 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13928909 0.75 GABRA1 (0.33) LMNAHPGDMAPTPKMKMT2A
SCHEMBL13928907 0.75 ALDH1A1 (0.31) NPC1RAB9AALDH1A1GAA
SCHEMBL13928915 0.74 MAPT (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8043209 0.74 TRPA1 (0.32) LMNAKDM4EHPGDMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 — — US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 — — US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 — — US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 — — WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 — — US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 — — 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS GRIN2D 2682/4885GRIN3B 3594/4885GRIN1 2676/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD GRIN2D 2326/4885GRIN3B 3504/4885GRIN1 2770/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 GRIN2D 2192/4885GRIN3B 3454/4885GRIN1 2786/4885

“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.