SCHEMBL16459355

SCHEMBL16459355

CC(C)OC(=O)C(Cc1cccs1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.64
CTSS P25774 6/20 0.64
CTSL P07711 2/20 0.45
RAB9A P51151 2/20 0.45
CTSB P07858 1/20 0.41
PPARA Q07869 1/20 0.41
CYP2C19 P33261 1/20 0.40
ACE P12821 1/20 0.40
EPHX2 P34913 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSC P53634 1/20 0.40

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
SCHEMBL10094265 1.00 CTSK (0.64) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL16478919 0.91 CTSK (0.62) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL14164208 0.89 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL844317 0.85 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL2481878 0.85 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL844316 0.85 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL9109963 0.84 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL9109956 0.84 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL20830986 0.83 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL21985765 0.81 CTSK (0.55) CTSKCTSSCTSLRAB9ACYP2C19

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 CTSK 2248/4885CTSS 724/4885CTSL 570/4885

“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.