SCHEMBL6580571

SCHEMBL6580571

CC(C)C[C@H](NNc1ccc(Cl)c(Cl)c1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
CACNA1B Q00975 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
UTS2R Q9UKP6 2/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
CAPN1 P07384 2/20 0.39
CCR5 P51681 1/20 0.38
FUCA1 P04066 2/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL6580352 0.84 CTSK (0.47) CTSKSMN1; SMN2
SCHEMBL6580859 0.84 GRN (0.55) CTSKCASP3CASP1CASP7CASP6
SCHEMBL6578074 0.77 CTSK (0.49) CTSKCACNA1BCASP3CASP1CASP7
SCHEMBL6580216 0.77 CTSK (0.50) CTSKCACNA1BFUCA1
Hydrochloric Acid SCHEMBL27483445 0.76 CTSK (0.47) CTSKCACNA1BFUCA1
Hydrochloric Acid SCHEMBL6580455 0.76 CTSK (0.47) CTSKCACNA1BFUCA1
SCHEMBL6578205 0.76 CASP1 (0.61) CTSKCASP3CASP1CASP7CASP6
SCHEMBL6578118 0.75 CTSK (0.51) CTSKCASP3CASP1SIGMAR1UTS2R
SCHEMBL6580809 0.75 CTSK (0.58) CTSKUTS2RCAPN1
SCHEMBL6578107 0.75 UTS2R (0.52) CTSKCASP3CASP1CASP7CASP6

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 5 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

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 1/4885CACNA1B 2749/4885SMN1; SMN2 3802/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885CACNA1B 2071/4885SMN1; SMN2 4556/4885

“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.