SCHEMBL4740276

SCHEMBL4740276

CC(F)C(=O)n1c(=O)oc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ASAH1 Q13510 9/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL9551083 0.86 IDO1 (0.56) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL7593679 0.83 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL17201488 0.83 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5503210 0.80 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5503209 0.80 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5504041 0.80 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500883 0.80 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495838 0.80 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495840 0.80 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500885 0.80 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1

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
WO-2008090046-A1 ALTERNATE PROCESS FOR PREPARING 3,5-DI-OMICRON-ACYL-2-FLUORO-2-C-METHYL-D-RIBONO-GAMMA-LACTONE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-31 WO claimed
US-20080177079-A1 NOVEL PROCESS FOR THE PREPARATION OF (2R)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE AND (2S)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE ROCHE CAROLINA INC. 2008-07-24 US claimed
WO-2008090046-A1 ALTERNATE PROCESS FOR PREPARING 3,5-DI-OMICRON-ACYL-2-FLUORO-2-C-METHYL-D-RIBONO-GAMMA-LACTONE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-31 WO disclosed
WO-2008090046-A1 ALTERNATE PROCESS FOR PREPARING 3,5-DI-OMICRON-ACYL-2-FLUORO-2-C-METHYL-D-RIBONO-GAMMA-LACTONE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-31 WO disclosed
US-20080177079-A1 NOVEL PROCESS FOR THE PREPARATION OF (2R)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE AND (2S)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE ROCHE CAROLINA INC. 2008-07-24 US disclosed
US-20080177079-A1 NOVEL PROCESS FOR THE PREPARATION OF (2R)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE AND (2S)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE ROCHE CAROLINA INC. 2008-07-24 US disclosed
US-20080177079-A1 NOVEL PROCESS FOR THE PREPARATION OF (2R)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE AND (2S)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE ROCHE CAROLINA INC. 2008-07-24 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 (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-20080177079-A1 NOVEL PROCESS FOR THE PREPARATION OF (2R)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE AND (2S)-2-DEOXY-2-FLUORO-2-METHYL-D-ERYTHRO-PENTONO-GAMMA-LACTONE FBL, NSUN2, RNGTT IDO1 4262/4885ALDH1A1 1583/4885MAPT 4611/4885

“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.