SCHEMBL6579878

SCHEMBL6579878

CC(C)C[C@@H](CN1CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C1)NC(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSL P07711 2/20 0.49
CASP3 P42574 9/20 0.47
CASP1 P29466 8/20 0.47
CTSB P07858 1/20 0.44
CASP6 P55212 5/20 0.42
CASP8 Q14790 5/20 0.42
UTS2R Q9UKP6 1/20 0.42
CASP7 P55210 5/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CAPN1 P07384 1/20 0.40
TMPRSS11D O60235 1/20 0.40
CTRL P40313 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
SCHEMBL6580107 0.85 CTSK (0.69) CTSKCTSLCASP3CASP1CTSB
SCHEMBL6578107 0.85 UTS2R (0.52) CTSKCTSLCASP3CASP1CTSB
SCHEMBL6577842 0.84 CTSK (0.65) CTSKCTSLCASP3CASP1CTSB
SCHEMBL6582257 0.82 CASP3 (0.53) CTSKCTSLCASP3CASP1CASP6
SCHEMBL6580170 0.80 CTSK (0.62) CTSKCTSLCTSBUTS2R
SCHEMBL6580235 0.79 CASP3 (0.46) CTSKCTSLCASP3CASP1CASP6
SCHEMBL6580234 0.79 CTSL (0.49) CTSKCTSLCASP3CASP1CTSB
SCHEMBL6580295 0.77 CTSK (0.60) CTSKCTSLCTSB
SCHEMBL6581038 0.77 CTSK (0.73) CTSKCTSLCTSB
SCHEMBL6580271 0.77 CTSK (0.66) CTSKCTSLCTSB

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 6 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 claimed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US claimed
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 CTSK 1/4885CTSL 7/4885CASP3 590/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885CASP3 171/4885

“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.