SCHEMBL6580430

SCHEMBL6580430

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.57
CTSK P43235 7/20 0.56
CTSB P07858 3/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
CCR1 P32246 1/20 0.49
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HDAC1 Q13547 2/20 0.43
CASP1 P29466 2/20 0.43
CASP3 P42574 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
CAPN1 P07384 1/20 0.42
CNR2 P34972 1/20 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
SCHEMBL6577775 0.93 UTS2R (0.63) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6580315 0.86 UTS2R (0.54) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6578490 0.85 CTSK (0.48) UTS2RCTSKCASP1CASP3CAPN1
SCHEMBL6578219 0.85 CTSK (0.59) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6584216 0.85 CTSK (0.57) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7402846 0.84 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7407978 0.84 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7411023 0.84 UTS2R (0.77) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL7410878 0.84 UTS2R (0.69) UTS2RCTSKCTSBCTSLCTSS
SCHEMBL6578205 0.84 CASP1 (0.61) UTS2RCTSKCTSBCCR1CASP1

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 1/4885CTSB 5/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL UTS2R 972/4885CTSK 100/4885CTSB 60/4885

“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.