SCHEMBL6580377

SCHEMBL6580377

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)c(Cl)c2)C(O)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.54
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
CAPN1 P07384 3/20 0.44
CTSK P43235 3/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CCKBR P32239 1/20 0.40
CAPNS1 P04632 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CCR3 P51677 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6580255 0.89 CTSK (0.46) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6577759 0.84 CTSK (0.62) UTS2RGRNSORT1CTSK
SCHEMBL6578056 0.83 TAS1R3 (0.54) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6580859 0.81 GRN (0.55) UTS2RGRNSORT1CAPN1CTSK
SCHEMBL6580733 0.81 CTSK (0.52) UTS2RCAPN1CTSK
SCHEMBL6578071 0.80 CTSK (0.45) UTS2RCAPN1CTSK
SCHEMBL6578504 0.78 UTS2R (0.45) UTS2RCTSKCASP1CASP3KCNH2
SCHEMBL6580365 0.77 UTS2R (0.55) UTS2RCTSKCASP1CASP3
SCHEMBL6581051 0.77 CASP1 (0.59) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6578322 0.76 CTSK (0.52) UTS2RCAPN1CTSKCASP1CASP3

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 1950/4885GRN 1681/4885SORT1 1537/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL UTS2R 972/4885GRN 2813/4885SORT1 3985/4885

“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.