SCHEMBL16458284

SCHEMBL16458284

CC(C)OC(=O)C(Cc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.53
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CTSB P07858 4/20 0.48
CTSL P07711 2/20 0.48
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
HTR2C P28335 2/20 0.47
USP2 O75604 2/20 0.47
CYP3A4 P08684 2/20 0.47
ADRA2C P18825 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
NR1I2 O75469 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL16458286 1.00 SCN9A (0.53) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL16478946 0.92 SCN9A (0.51) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL29907930 0.86 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL1519924 0.86 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL1519920 0.86 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL16460070 0.86 PPARA (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL3556619 0.86 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL16460068 0.86 PPARA (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL16459766 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL16459768 0.85 CTSS (0.51) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 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-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS BCAT1, DNPEP, BCAT2 SCN9A 3103/4885CTSS 724/4885CTSK 2248/4885

“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.