SCHEMBL6300527

SCHEMBL6300527

O=C(NC(Cc1ccc(F)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
CTSB P07858 3/20 0.38
USP30 Q70CQ3 3/20 0.38
KMT2A Q03164 2/20 0.37
CA2 P00918 1/20 0.36
IDO1 P14902 1/20 0.36
TACR2 P21452 1/20 0.35
ZAP70 P43403 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL6300604 0.94 CTSL (0.38) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6300424 0.94 IDO1 (0.44) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6991868 0.90 CTSL (0.39) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6992575 0.89 USP30 (0.48) CTSLCTSSCTSKCTSBUSP30
SCHEMBL6295728 0.88 CTSL (0.36) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6300222 0.87 CTSL (0.39) CTSLCTSSCTSKCTSBUSP30
SCHEMBL6696901 0.87 USP30 (0.42) CTSLCTSSCTSKCTSBUSP30
SCHEMBL6300636 0.87 CTSL (0.41) CTSLCTSSCTSKCTSBUSP30
SCHEMBL6699096 0.87 CTSL (0.45) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6294795 0.86 CTSB (0.49) CTSLCTSSCTSKCTSBUSP30

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-6958358-B2 administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide AMURA THERAPEUTICS LIMITED (GB) 2005-10-25 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO 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 (1 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSL 15/4885CTSS 19/4885CTSK 46/4885

“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.