SCHEMBL6577971

SCHEMBL6577971

CC(C)C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.68
CTSB P07858 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
CCR1 P32246 1/20 0.51
CTSL P07711 9/20 0.50
CTSS P25774 6/20 0.47

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
SCHEMBL6577984 0.89 CTSK (0.64) CTSKCTSBCCR1CTSLCTSS
SCHEMBL6578517 0.87 CTSK (0.90) CTSKCTSBTAS1R3TAS1R1CTSL
SCHEMBL6580544 0.85 CTSK (0.59) CTSKCTSBCTSLCTSS
SCHEMBL6580537 0.85 TAS1R3 (0.55) CTSKCTSBTAS1R3TAS1R1CCR1
SCHEMBL6578370 0.84 CTSK (0.55) CTSKCTSBCTSLCTSS
SCHEMBL6580957 0.84 CTSK (0.62) CTSKCTSBCTSLCTSS
SCHEMBL6580739 0.84 CTSK (0.56) CTSKCTSBCTSLCTSS
SCHEMBL6578249 0.83 CTSK (0.58) CTSKCTSBTAS1R3TAS1R1CTSL
SCHEMBL6582647 0.83 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL6580141 0.82 CTSK (0.53) CTSKCTSBCTSLCTSS

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.