SCHEMBL4459438

SCHEMBL4459438

COc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
CTSS P25774 4/20 0.43
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
DPP4 P27487 1/20 0.42
POLB P06746 2/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MDM2 Q00987 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4457938 0.91 CTSS (0.47) CTSKCTSSCTSVCTSLPOLB
SCHEMBL7015308 0.91 CTSK (0.46) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL4452707 0.90 CTSK (0.50) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4451932 0.90 CTSK (0.47) CTSKCTSSCTSVCTSL
SCHEMBL4452610 0.89 CTSK (0.49) CTSKCTSSCTSVCTSLSMN1; SMN2
SCHEMBL4452660 0.89 CTSK (0.49) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL4451610 0.89 CTSS (0.55) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4452668 0.88 CTSK (0.62) CTSKCTSSCTSVCTSLALDH1A1
SCHEMBL7018355 0.88 CTSK (0.52) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4458891 0.87 CTSK (0.49) CTSKCTSSCTSVCTSLNAMPT

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.