SCHEMBL6583598

SCHEMBL6583598

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CN(CCNC(=O)c2ccc(F)cc2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.51
CD274 Q9NZQ7 1/20 0.44
CTSK P43235 5/20 0.44
CTSS P25774 3/20 0.44
CAPN1 P07384 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
EPHX2 P34913 1/20 0.42

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 0.88 CTSL (0.49) CTSLCTSKCTSSCAPN1CASP1
SCHEMBL6583896 0.85 CTSK (0.46) CTSLCTSKCTSSCAPN1CASP1
SCHEMBL6577721 0.85 CTSL (0.47) CTSLCTSKCTSSCAPN1CASP1
SCHEMBL6580001 0.85 CTSL (0.48) CTSLCTSKCTSSCAPN1CASP1
SCHEMBL6578118 0.84 CTSK (0.51) CTSLCTSKCTSSCAPN1DRD2
SCHEMBL6580334 0.82 CTSL (0.50) CTSLCD274CTSKCTSS
SCHEMBL6582333 0.81 PSMB8 (0.41) CTSLCTSKCTSSCAPN1
SCHEMBL6578042 0.79 CTSK (0.54) CTSLCTSKCTSSCAPN1CASP1
SCHEMBL6580295 0.78 CTSK (0.60) CTSLCTSKCTSS
SCHEMBL8810545 0.74 CAPN1 (0.72) CTSLCAPN1CASP1CASP3

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 CTSL 7/4885CD274 4737/4885CTSK 1/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSL 8/4885CD274 4541/4885CTSK 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.