SCHEMBL5521797

SCHEMBL5521797

CC(=O)O[C@H]1CC[C@@H](C[C@H](NC(=O)c2ccccc2)C(=O)N(C)C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.52
CTSB P07858 7/20 0.52
CTSS P25774 7/20 0.52
CTSK P43235 5/20 0.52
CTSF Q9UBX1 1/20 0.42
USP30 Q70CQ3 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5524026 0.91 CTSL (0.53) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5522916 0.87 CTSL (0.55) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5530441 0.86 CTSL (0.69) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5525335 0.86 CTSL (0.69) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5521803 0.84 CTSL (0.73) CTSLCTSBCTSSCTSK
SCHEMBL5526256 0.84 CTSL (0.54) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5518256 0.84 CTSL (0.54) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5521752 0.83 CTSL (0.53) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5526548 0.82 CTSL (0.53) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5530678 0.82 CTSL (0.53) CTSLCTSBCTSSCTSKCTSF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885

“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.