SCHEMBL6580458

SCHEMBL6580458

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)c3ccc4c(c3)CCCN4)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.47
CTSB P07858 1/20 0.47
CTSL P07711 2/20 0.42
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6580642 0.87 CAPN1 (0.37) CTSKCTSBCTSLTAOK1TAOK3
SCHEMBL6580608 0.87 CTSK (0.53) CTSKCTSBCTSLTAOK1TAOK3
SCHEMBL6580725 0.84 CTSK (0.47) CTSKCTSBCTSLMEN1KMT2A
SCHEMBL6580466 0.78 CTSK (0.55) CTSKCTSBCTSL
SCHEMBL6580637 0.73 CAPN1 (0.40) CTSKCTSBCTSLTAOK1TAOK3
SCHEMBL6580526 0.73 CTSK (0.51) CTSKCTSBCTSLTAOK1TAOK3
SCHEMBL5743704 0.72 CTSK (0.45) CTSKTAOK1TAOK3KDM4EMAPT
SCHEMBL6578151 0.71 CTSK (0.56) CTSKCTSBCTSLTAOK1TAOK3
SCHEMBL6580531 0.70 CAPN1 (0.41) CTSKTAOK1TAOK3KDM4EMAPT
SCHEMBL6582333 0.70 PSMB8 (0.41) CTSKCTSLMEN1KMT2AGAA

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 1/4885CTSB 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.