SCHEMBL12401546

SCHEMBL12401546

CC(=O)C(=O)[C@H](CC1CC1)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
CPB2 Q96IY4 2/20 0.34
USP30 Q70CQ3 4/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSV O60911 1/20 0.32
ELANE P08246 1/20 0.32
CMA1 P23946 1/20 0.32
CTSF Q9UBX1 1/20 0.32
CACNA1H O95180 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CTSH P09668 1/20 0.30

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
SCHEMBL12401553 1.00 CTSS (0.38) CTSSCTSKCPB2USP30GRN
SCHEMBL12401640 0.93 CPB2 (0.38) CTSSCTSKCPB2USP30CTSL
SCHEMBL12404694 0.84 CTSS (0.42) CTSSCTSKCPB2USP30GRN
SCHEMBL12401547 0.84 CTSS (0.37) CTSSCTSKCPB2USP30GRN
SCHEMBL12401544 0.84 CTSS (0.37) CTSSCTSKCPB2USP30GRN
SCHEMBL13117648 0.81 CTSS (0.35) CTSSCTSKCPB2USP30GRN
SCHEMBL12401740 0.80 CTSK (0.40) CTSSCTSKCPB2USP30CTSL
SCHEMBL12401550 0.80 CTSK (0.37) CTSSCTSKCPB2USP30GRN
SCHEMBL12401552 0.80 KMT2A (0.36) CTSSCTSKCPB2CTSB
SCHEMBL12401741 0.80 CTSK (0.37) CTSSCTSKCPB2USP30GRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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 (2 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CTSS 67/4885CTSK 217/4885CPB2 109/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSS 77/4885CTSK 240/4885CPB2 92/4885

“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.