SCHEMBL6580001

SCHEMBL6580001

CC(C)C[C@H](N)CN1CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.48
CAPN1 P07384 3/20 0.42
CTSK P43235 9/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
ANPEP P15144 1/20 0.39
CTSS P25774 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL6580234 0.90 CTSL (0.49) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6577721 0.87 CTSL (0.47) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6583598 0.85 CTSL (0.51) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6578118 0.84 CTSK (0.51) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6580531 0.81 CAPN1 (0.41) CAPN1CTSKCASP1CASP3TAOK1
SCHEMBL6582333 0.81 PSMB8 (0.41) CTSLCAPN1CTSKCTSS
SCHEMBL6580295 0.80 CTSK (0.60) CTSLCTSKCTSS
SCHEMBL6582257 0.79 CASP3 (0.53) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6578042 0.79 CTSK (0.54) CTSLCAPN1CTSKCASP1CASP3
SCHEMBL6583896 0.79 CTSK (0.46) CTSLCAPN1CTSKCASP1CASP3

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 3 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 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 CTSL 7/4885CAPN1 81/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSL 8/4885CAPN1 178/4885CTSK 100/4885

“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.