SCHEMBL4452668

SCHEMBL4452668

CC(CCNC(=O)c1ccc(C(C)(C)C)cc1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.62
CTSS P25774 4/20 0.44
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.40
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL4451291 0.95 CTSK (0.56) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL7018355 0.92 CTSK (0.52) CTSKCTSSCTSVCTSL
SCHEMBL4452707 0.91 CTSK (0.50) CTSKCTSSCTSVCTSLTSHR
SCHEMBL4452610 0.90 CTSK (0.49) CTSKCTSSCTSVCTSLSMN1; SMN2
SCHEMBL4452660 0.90 CTSK (0.49) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL4451610 0.90 CTSS (0.55) CTSKCTSSCTSVCTSLSMN1; SMN2
SCHEMBL4459438 0.88 CTSK (0.48) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL4458891 0.88 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4451932 0.87 CTSK (0.47) CTSKCTSSCTSVCTSL
SCHEMBL4457938 0.86 CTSS (0.47) CTSKCTSSCTSVCTSLALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSK 62/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSS 21/4885CTSV 18/4885

“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.