SCHEMBL6580859

SCHEMBL6580859

CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
UTS2R Q9UKP6 3/20 0.54
CAPN1 P07384 3/20 0.53
CTSK P43235 7/20 0.51
CASP1 P29466 2/20 0.49
CASP3 P42574 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CAPNS1 P04632 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CTSB P07858 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
SCHEMBL6578205 0.90 CASP1 (0.61) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6578118 0.88 CTSK (0.51) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6577962 0.88 CASP1 (0.54) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6578107 0.86 UTS2R (0.52) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6578297 0.86 CTSK (0.59) GRNSORT1UTS2RCAPN1CTSK
SCHEMBL6580537 0.85 TAS1R3 (0.55) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6578370 0.84 CTSK (0.55) GRNSORT1UTS2RCTSKCTSB
SCHEMBL6580571 0.84 CTSK (0.49) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6581051 0.82 CASP1 (0.59) UTS2RCAPN1CTSKCASP1CASP3
SCHEMBL6580377 0.81 UTS2R (0.54) GRNSORT1UTS2RCAPN1CTSK

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

“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.