SCHEMBL12401749

SCHEMBL12401749

CC(C)(C)NC(CC1CCC1)C(=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
CTSS P25774 4/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSV O60911 1/20 0.47
ELANE P08246 1/20 0.47
CMA1 P23946 1/20 0.47
CTSF Q9UBX1 1/20 0.47
CPB2 Q96IY4 7/20 0.39
CTSH P09668 2/20 0.33
USP30 Q70CQ3 2/20 0.33

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
SCHEMBL12404694 0.93 CTSS (0.42) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12401640 0.85 CPB2 (0.38) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12401556 0.84 CPB2 (0.37) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12401557 0.84 CPB2 (0.37) CTSKCTSSCTSLCTSBCTSV
SCHEMBL18120817 0.82 CPB2 (0.45) CTSKCTSSCTSLCTSBCPB2
SCHEMBL8227114 0.81 CTSK (0.38) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12404671 0.81 CTSL (0.37) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12401659 0.80 CPB2 (0.38) CTSKCTSSCTSLCTSBCTSV
SCHEMBL12401686 0.80 CPB2 (0.37) CTSKCTSSCTSLCTSBCTSV
SCHEMBL13941040 0.80 CPB2 (0.38) CTSKCTSSCTSLCTSBCTSV

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 2 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

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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885CTSL 63/4885

“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.