SCHEMBL6578249

SCHEMBL6578249

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3ncccc3c2)C(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.58
CTSB P07858 4/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
CTSL P07711 8/20 0.47
CTSS P25774 8/20 0.47
CTSV O60911 2/20 0.46
HTR3A P46098 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADAM17 P78536 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
SCHEMBL6578056 0.85 TAS1R3 (0.54) CTSKCTSBTAS1R3TAS1R1HTR3A
SCHEMBL6577836 0.85 CTSK (0.64) CTSKCTSBCTSLCTSSCTSV
SCHEMBL6579970 0.83 CTSK (0.66) CTSKCTSBCTSLCTSSCTSV
SCHEMBL6577759 0.83 CTSK (0.62) CTSKCTSBCTSLCTSS
SCHEMBL6577971 0.83 CTSK (0.68) CTSKCTSBTAS1R3TAS1R1CTSL
SCHEMBL6580291 0.83 CTSK (0.63) CTSKCTSBCTSLCTSS
SCHEMBL6580354 0.82 CTSK (0.63) CTSKCTSBCTSLCTSSCTSV
SCHEMBL6580667 0.81 CTSK (0.64) CTSKCTSBCTSLCTSSHTR1A
SCHEMBL7427335 0.79 CTSK (0.75) CTSKCTSBCTSLCTSSCTSV
SCHEMBL6213819 0.77 CTSK (0.73) CTSKCTSBCTSLCTSSCTSV

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 1/4885CTSB 5/4885TAS1R3 3747/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CTSB 60/4885TAS1R3 3402/4885

“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.