SCHEMBL6578490

SCHEMBL6578490

CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
UTS2R Q9UKP6 7/20 0.46
CASP3 P42574 8/20 0.44
CASP1 P29466 8/20 0.44
CAPN1 P07384 1/20 0.43
CASP6 P55212 5/20 0.42
CASP8 Q14790 5/20 0.42
CASP7 P55210 4/20 0.41

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
SCHEMBL6579899 0.86 CTSK (0.56) CTSK
SCHEMBL6580430 0.85 UTS2R (0.57) CTSKUTS2RCASP3CASP1CAPN1
SCHEMBL6578205 0.85 CASP1 (0.61) CTSKUTS2RCASP3CASP1CAPN1
SCHEMBL7410404 0.85 UTS2R (0.62) UTS2R
SCHEMBL7408813 0.85 UTS2R (0.62) UTS2R
SCHEMBL6580141 0.84 CTSK (0.53) CTSKUTS2R
SCHEMBL6578504 0.83 UTS2R (0.45) CTSKUTS2RCASP3CASP1
SCHEMBL6580537 0.82 TAS1R3 (0.55) CTSKUTS2RCASP3CASP1CAPN1
SCHEMBL6578107 0.81 UTS2R (0.52) CTSKUTS2RCASP3CASP1CAPN1
SCHEMBL6577962 0.81 CASP1 (0.54) CTSKUTS2RCASP3CASP1CAPN1

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 1/4885UTS2R 1950/4885CASP3 590/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885UTS2R 972/4885CASP3 171/4885

“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.