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SCHEMBL12401740

SCHEMBL12401740

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.40
▸ CTSS P25774 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ USP30 Q70CQ3 3/20 0.34
▸ CPB2 Q96IY4 5/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CTSF Q9UBX1 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CTSH P09668 1/20 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
SCHEMBL13117649 1.00 CTSK (0.40) CTSKCTSSL3MBTL1USP30CPB2
SCHEMBL12401547 0.85 CTSS (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL12401544 0.85 CTSS (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL12401556 0.83 CPB2 (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL12401557 0.83 CPB2 (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL14943770 0.82 CTSK (0.36) CTSKCTSSL3MBTL1CPB2CTSL
SCHEMBL15368930 0.82 CTSK (0.36) CTSKCTSSL3MBTL1CPB2CTSL
SCHEMBL12401741 0.81 CTSK (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL12401550 0.81 CTSK (0.37) CTSKCTSSUSP30CPB2CTSL
SCHEMBL12401552 0.81 KMT2A (0.36) CTSKCTSSCPB2CTSB

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 67/4885L3MBTL1 3011/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885CTSS 67/4885L3MBTL1 3011/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885CTSS 31/4885L3MBTL1 1303/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885L3MBTL1 3090/4885

“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.