SCHEMBL6578322

SCHEMBL6578322

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2cccc3cccnc23)C(O)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CASP1 P29466 4/20 0.45
CASP3 P42574 3/20 0.45
CASP7 P55210 2/20 0.45
CASP6 P55212 2/20 0.45
CASP8 Q14790 2/20 0.45
HCRTR1 O43613 2/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
CAPN1 P07384 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PARP1 P09874 1/20 0.38
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL6577836 0.85 CTSK (0.64) CTSKCTSLCTSS
SCHEMBL6578056 0.84 TAS1R3 (0.54) CTSKCASP1CASP3ADAM17CAPN1
SCHEMBL6580733 0.84 CTSK (0.52) CTSKCTSLCTSSCAPN1UTS2R
SCHEMBL6578504 0.82 UTS2R (0.45) CTSKCASP1CASP3UTS2R
SCHEMBL6580365 0.81 UTS2R (0.55) CTSKCTSLCTSSCASP1CASP3
SCHEMBL6580255 0.79 CTSK (0.46) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4557499 0.78 CTSK (0.47) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4557501 0.78 CTSK (0.47) CTSKCTSLCTSSCASP1CASP3
SCHEMBL6580087 0.78 CTSK (0.57) CTSKCTSLCTSS
SCHEMBL6578071 0.77 CTSK (0.45) CTSKCAPN1UTS2R

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.