SCHEMBL5924969

SCHEMBL5924969

CC(C)C[C@H](NC(=O)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1)C(=O)N(C)C#N

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.57
CTSL P07711 8/20 0.50
CTSK P43235 6/20 0.50
CTSS P25774 5/20 0.50
GRN P28799 2/20 0.48
SORT1 Q99523 2/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGDS O60760 1/20 0.40

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
SCHEMBL5924662 0.93 CTSB (0.60) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924665 0.93 CTSB (0.60) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924748 0.91 CTSB (0.48) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924645 0.90 CTSB (0.52) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924642 0.90 CTSB (0.52) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924689 0.89 CTSB (0.58) CTSBCTSLCTSKCTSSHPGDS
SCHEMBL5924798 0.88 CTSB (0.59) CTSBCTSLCTSKCTSSKDM4E
SCHEMBL5925027 0.87 CTSB (0.58) CTSBCTSLCTSKCTSS
SCHEMBL5924915 0.87 CTSB (0.60) CTSBCTSLCTSKCTSSGRN
SCHEMBL5924692 0.86 CTSB (0.46) CTSBCTSLCTSKCTSSGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK CTSB 2/4885CTSL 11/4885CTSK 3/4885

“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.