SCHEMBL6578504

SCHEMBL6578504

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3cn2)C(O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.45
CTSK P43235 3/20 0.44
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
DRD3 P35462 8/20 0.42
HTR2A P28223 7/20 0.42
HTR1A P08908 6/20 0.42
HTR2C P28335 5/20 0.40
DRD2 P14416 2/20 0.40
TACR2 P21452 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6580733 0.87 CTSK (0.52) UTS2RCTSK
SCHEMBL6580365 0.86 UTS2R (0.55) UTS2RCTSKCASP1CASP3DRD3
SCHEMBL6580354 0.85 CTSK (0.63) UTS2RCTSK
SCHEMBL6577864 0.84 CTSK (0.52) UTS2RCTSKCASP1CASP3
SCHEMBL6578490 0.83 CTSK (0.48) UTS2RCTSKCASP1CASP3
SCHEMBL6578056 0.82 TAS1R3 (0.54) UTS2RCTSKCASP1CASP3DRD3
SCHEMBL6578322 0.82 CTSK (0.52) UTS2RCTSKCASP1CASP3
SCHEMBL6580255 0.79 CTSK (0.46) UTS2RCTSKCASP1CASP3KCNH2
SCHEMBL6580377 0.78 UTS2R (0.54) UTS2RCTSKCASP1CASP3KCNH2
SCHEMBL7410404 0.78 UTS2R (0.62) UTS2RDRD2

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 UTS2R 1950/4885CTSK 1/4885CASP1 131/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL UTS2R 972/4885CTSK 100/4885CASP1 144/4885

“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.