SCHEMBL6582257

SCHEMBL6582257

CC(C)C[C@H](N)CN1CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.53
CASP1 P29466 13/20 0.53
CTSK P43235 2/20 0.52
CASP6 P55212 10/20 0.48
CASP8 Q14790 10/20 0.48
CTSL P07711 1/20 0.48
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CASP7 P55210 11/20 0.46
CAPN1 P07384 1/20 0.42

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
SCHEMBL6577842 0.83 CTSK (0.65) CASP3CASP1CTSKCTSL
SCHEMBL6579878 0.82 CTSK (0.49) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6580235 0.81 CASP3 (0.46) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6580001 0.79 CTSL (0.48) CASP3CASP1CTSKCTSLCAPN1
SCHEMBL6582052 0.78 SIGMAR1 (0.54) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6577900 0.76 CTSK (0.66) CTSKCTSL
SCHEMBL6580271 0.76 CTSK (0.66) CTSKCTSL
SCHEMBL6581038 0.76 CTSK (0.73) CTSKCTSL
SCHEMBL6578205 0.75 CASP1 (0.61) CASP3CASP1CTSKCASP6CASP8
SCHEMBL6577566 0.75 CTSK (0.56) CASP3CASP1CTSKCASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CASP3 590/4885CASP1 131/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CASP3 171/4885CASP1 144/4885CTSK 100/4885

“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.