SCHEMBL6580722

SCHEMBL6580722

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCC1CN(Cc2ccccc2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
CASP1 P29466 2/20 0.50
CASP3 P42574 2/20 0.50
CTSB P07858 3/20 0.47
BCHE P06276 3/20 0.47
CCR1 P32246 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A12 P48065 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45
ACHE P22303 2/20 0.43
CCKBR P32239 1/20 0.42
CAPN1 P07384 1/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 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
SCHEMBL6577984 0.86 CTSK (0.64) CTSKCASP1CASP3CTSBCCR1
SCHEMBL6580337 0.86 CTSK (0.67) CTSKCTSBCTSLCTSS
SCHEMBL6580228 0.85 CTSK (0.54) CTSKCTSBCCR1CTSLCTSS
SCHEMBL6580336 0.84 CASP1 (0.51) CTSKCASP1CASP3CTSBBCHE
SCHEMBL6577777 0.81 CTSK (0.65) CTSKCASP1CASP3CTSBDRD4
SCHEMBL6580544 0.81 CTSK (0.59) CTSKCASP1CASP3CTSBCTSL
SCHEMBL7381618 0.79 CTSK (0.58) CTSKCASP1CASP3CTSBCCR1
SCHEMBL7407746 0.78 UTS2R (0.64) CTSKDRD4SLC6A12SLC6A13UTS2R
SCHEMBL6578205 0.78 CASP1 (0.61) CTSKCASP1CASP3CTSBBCHE
SCHEMBL7412018 0.78 UTS2R (0.64) CTSKDRD4SLC6A12SLC6A13UTS2R

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 1/4885CASP1 131/4885CASP3 590/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CASP1 144/4885CASP3 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.