SCHEMBL6578370

SCHEMBL6578370

CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.55
CTSB P07858 2/20 0.55
GRN P28799 1/20 0.53
SORT1 Q99523 1/20 0.53
UTS2R Q9UKP6 2/20 0.52
CTSL P07711 6/20 0.51
CTSS P25774 3/20 0.51

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
SCHEMBL6577984 0.90 CTSK (0.64) CTSKCTSBCTSLCTSS
SCHEMBL6580739 0.89 CTSK (0.56) CTSKCTSBUTS2RCTSLCTSS
SCHEMBL6582647 0.88 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL6580544 0.87 CTSK (0.59) CTSKCTSBCTSLCTSS
Lithium Ion SCHEMBL6582305 0.87 CTSK (0.53) CTSKCTSBCTSLCTSS
SCHEMBL6580347 0.86 CTSK (0.76) CTSKCTSBCTSLCTSS
SCHEMBL6580957 0.86 CTSK (0.62) CTSKCTSBUTS2RCTSLCTSS
SCHEMBL6577971 0.84 CTSK (0.68) CTSKCTSBCTSLCTSS
SCHEMBL6580352 0.84 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6580859 0.84 GRN (0.55) CTSKCTSBGRNSORT1UTS2R

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 5/4885GRN 1681/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSB 60/4885GRN 2813/4885

“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.