SCHEMBL6300604

SCHEMBL6300604

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
IDO1 P14902 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TACR2 P21452 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL6300527 0.94 CTSL (0.38) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6300424 0.93 IDO1 (0.44) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6295728 0.91 CTSL (0.36) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6294856 0.90 KLKB1 (0.43) CTSLCTSBCTSSCTSK
SCHEMBL6991868 0.89 CTSL (0.39) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6294790 0.88 CTSL (0.39) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6300662 0.86 CTSL (0.39) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6699096 0.86 CTSL (0.45) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6300585 0.86 CTSL (0.39) CTSLCTSBCTSSCTSKLNPEP
SCHEMBL6295603 0.86 TACR2 (0.40) CTSLCTSBCTSSCTSKLNPEP

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 15/4885CTSB 33/4885CTSS 19/4885

“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.