SCHEMBL6578042

SCHEMBL6578042

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CN(C(=O)c2ccccc2)CC1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.54
CTSL P07711 9/20 0.51
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
CAPN1 P07384 2/20 0.43
CCR1 P32246 1/20 0.43
UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL5096684 0.90 CTSK (0.51) CTSKCTSLCTSBCTSSCASP1
SCHEMBL5096679 0.90 CTSK (0.51) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6583815 0.87 CASP1 (0.62) CTSKCTSLCASP1CASP3CAPN1
SCHEMBL6578118 0.84 CTSK (0.51) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6580581 0.82 CTSK (0.62) CTSKCTSLCTSBCTSSTAOK1
SCHEMBL6584216 0.82 CTSK (0.57) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6581280 0.81 CTSK (0.61) CTSKCTSLCTSBCTSSCASP3
SCHEMBL6580234 0.80 CTSL (0.49) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6764338 0.80 CTSK (0.46) CTSKCTSLCASP1CASP3TAOK1
SCHEMBL6577927 0.79 CASP1 (0.59) CTSKCASP1CASP3CAPN1CCR1

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 1/4885CTSL 7/4885CTSB 5/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885CTSB 60/4885

“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.