SCHEMBL6300222

SCHEMBL6300222

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.39
USP30 Q70CQ3 6/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CA2 P00918 1/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
CTSB P07858 2/20 0.38
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL6294790 0.94 CTSL (0.39) CTSLCA2CTSSCTSKCTSB
SCHEMBL6294311 0.93 PSMB5 (0.40) CTSLCA2CTSSCTSKCTSB
SCHEMBL6696901 0.92 USP30 (0.42) CTSLUSP30CA2CTSSCTSK
SCHEMBL6992575 0.90 USP30 (0.48) CTSLUSP30CA2CTSSCTSK
SCHEMBL6294295 0.89 CTSL (0.40) CTSL
SCHEMBL6300636 0.89 CTSL (0.41) CTSLUSP30CA2CTSSCTSK
SCHEMBL6294795 0.88 CTSB (0.49) CTSLUSP30CA2CTSSCTSK
SCHEMBL6295787 0.88 CTSL (0.46) CTSLCTSSCTSKCTSB
SCHEMBL6300527 0.87 CTSL (0.38) CTSLUSP30CA2CTSSCTSK
SCHEMBL6703064 0.86 HPGDS (0.47) CTSLUSP30CTSSCTSKCTSB

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 15/4885USP30 1218/4885NOS3 2843/4885

“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.