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Sugi Predict / Compounds / SCHEMBL12401557

SCHEMBL12401557

SCHEMBL12401557

CNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.37
▸ CTSK P43235 6/20 0.36
▸ CTSS P25774 4/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSV O60911 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ CTSF Q9UBX1 1/20 0.36
▸ CTSH P09668 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL12401556 1.00 CPB2 (0.37) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401547 0.93 CTSS (0.37) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401544 0.93 CTSS (0.37) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401659 0.86 CPB2 (0.38) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401686 0.86 CPB2 (0.37) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401640 0.85 CPB2 (0.38) CPB2CTSKCTSSCTSLCTSB
SCHEMBL14943231 0.85 CTSK (0.35) CPB2CTSKCTSSCTSLCTSB
SCHEMBL16328153 0.85 CTSK (0.35) CPB2CTSKCTSSCTSLCTSB
SCHEMBL12401749 0.84 CTSK (0.47) CPB2CTSKCTSSCTSLCTSB
SCHEMBL13117649 0.83 CTSK (0.40) CPB2CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 — — US disclosed
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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — 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
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (4 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 CPB2 109/4885CTSK 217/4885CTSS 67/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CPB2 109/4885CTSK 217/4885CTSS 67/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CPB2 95/4885CTSK 109/4885CTSS 31/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CPB2 92/4885CTSK 240/4885CTSS 77/4885

“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.