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Sugi Predict / Compounds / SCHEMBL12401741

SCHEMBL12401741

SCHEMBL12401741

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.37
▸ CTSS P25774 4/20 0.37
▸ CPB2 Q96IY4 3/20 0.34
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ ELANE P08246 2/20 0.30
▸ CTSV O60911 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CMA1 P23946 1/20 0.30
▸ CTSF Q9UBX1 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
SCHEMBL12401550 1.00 CTSK (0.37) CTSKCTSSCPB2GRNSORT1
SCHEMBL12401686 0.94 CPB2 (0.37) CTSKCTSSCPB2ELANECTSV
SCHEMBL12401544 0.85 CTSS (0.37) CTSKCTSSCPB2GRNSORT1
SCHEMBL12401547 0.85 CTSS (0.37) CTSKCTSSCPB2GRNSORT1
SCHEMBL12468297 0.82 CTSK (0.34) CTSKCTSSCPB2GRNSORT1
SCHEMBL14943769 0.82 CTSK (0.34) CTSKCTSSGRNSORT1CYP1A2
SCHEMBL15219928 0.82 CTSK (0.34) CTSKCTSSGRNSORT1CYP1A2
SCHEMBL12401740 0.81 CTSK (0.40) CTSKCTSSCPB2USP30ELANE
SCHEMBL12401552 0.81 KMT2A (0.36) CTSKCTSSCPB2KMT2ACTSB
SCHEMBL13117649 0.81 CTSK (0.40) CTSKCTSSCPB2USP30ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSK 217/4885CTSS 67/4885CPB2 109/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885CTSS 67/4885CPB2 109/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885CTSS 31/4885CPB2 95/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885CPB2 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.