SCHEMBL6580725

SCHEMBL6580725

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 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSB P07858 1/20 0.47
CTSL P07711 3/20 0.46
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
AIMP2 Q13155 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
CTSS P25774 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
SCHEMBL6580526 0.89 CTSK (0.51) CTSKCTSBCTSLCTSS
SCHEMBL6578151 0.87 CTSK (0.56) CTSKCTSBCTSLCTSS
SCHEMBL6582333 0.85 PSMB8 (0.41) CTSKCTSLPSMB8PSMB5AIMP2
SCHEMBL6580618 0.84 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL7379929 0.84 CTSK (0.55) CTSKCTSBCTSLCTSS
Lithium Ion SCHEMBL6579977 0.84 CTSK (0.52) CTSKCTSBCTSLCTSS
SCHEMBL6580458 0.84 CTSK (0.47) CTSKCTSBCTSLMEN1KMT2A
SCHEMBL6578144 0.84 CTSK (0.55) CTSKCTSBCTSLCTSS
SCHEMBL6580466 0.83 CTSK (0.55) CTSKCTSBCTSLCTSS
SCHEMBL6580334 0.79 CTSL (0.50) CTSKCTSBCTSLCTSS

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 9 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
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO 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 1/4885CTSB 5/4885CTSL 7/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSB 60/4885CTSL 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.