SCHEMBL6578037

SCHEMBL6578037

CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)NC1CN(Cc2cccc(OCc3ccccc3)c2)CC1O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.61
CTSL P07711 8/20 0.57
CTSS P25774 6/20 0.54
ANPEP P15144 1/20 0.47
CTSB P07858 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46

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
SCHEMBL6580159 0.91 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL6578214 0.90 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL6581498 0.89 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL6580830 0.89 CTSK (0.59) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6580189 0.87 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL6578147 0.86 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL6582270 0.86 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL6577816 0.85 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6580890 0.84 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL6578277 0.83 CTSK (0.63) CTSKCTSLCTSSCTSB

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 1/4885CTSL 7/4885CTSS 3/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSL 8/4885CTSS 4/4885

“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.