SCHEMBL6582333

SCHEMBL6582333

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(F)cc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
CTSL P07711 4/20 0.41
CTSK P43235 4/20 0.41
KMT2A Q03164 2/20 0.40
AIMP2 Q13155 1/20 0.40
MEN1 O00255 1/20 0.40
PLAU P00749 1/20 0.40
HPN P05981 1/20 0.40
CTSS P25774 3/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP30 Q70CQ3 2/20 0.38
CAPN1 P07384 3/20 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
SCHEMBL6580234 0.87 CTSL (0.49) CTSLCTSKCTSSCAPN1
SCHEMBL6580725 0.85 CTSK (0.47) PSMB8PSMB5CTSLCTSKKMT2A
SCHEMBL6577721 0.84 CTSL (0.47) CTSLCTSKCTSSCAPN1
SCHEMBL6580642 0.84 CAPN1 (0.37) CTSLCTSKKMT2AAIMP2MEN1
SCHEMBL6580235 0.83 CASP3 (0.46) CTSLCTSKKMT2AAIMP2MEN1
SCHEMBL6583598 0.81 CTSL (0.51) CTSLCTSKCTSSCAPN1
SCHEMBL6580001 0.81 CTSL (0.48) CTSLCTSKCTSSCAPN1
SCHEMBL6580295 0.78 CTSK (0.60) CTSLCTSKCTSS
SCHEMBL6578118 0.77 CTSK (0.51) CTSLCTSKCTSSCAPN1
SCHEMBL6583896 0.76 CTSK (0.46) CTSLCTSKCTSSCAPN1

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 PSMB8 1090/4885PSMB5 643/4885CTSL 7/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL PSMB8 583/4885PSMB5 137/4885CTSL 8/4885

“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.