SCHEMBL6294455

SCHEMBL6294455

O=C(NC12CCCC1OCC2=O)C(CC(=O)N1CCc2ccccc2C1)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
DPP8 Q6V1X1 4/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP4 P27487 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 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
SCHEMBL6294772 0.94 HDAC8 (0.39) HDAC8DPP8DPP4MMP1MMP2
SCHEMBL6753432 0.82 HDAC8 (0.45) HDAC8DPP8DPP7DPP4KDM4E
SCHEMBL5870400 0.75 HDAC8 (0.46) HDAC8DPP8DPP7DPP4KDM4E
SCHEMBL6700410 0.75 ITGA4 (0.40)
SCHEMBL4449833 0.72 HDAC8 (0.48) HDAC8DPP8DPP7DPP4KDM4E
SCHEMBL6749596 0.70 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL5870550 0.68 MMP9 (0.46) HDAC8MMP1MMP2MMP9MMP8
SCHEMBL6701494 0.68 MC3R (0.40) DPP8DPP7DPP4
SCHEMBL4457969 0.67 HDAC8 (0.44) HDAC8DPP8DPP7DPP4
SCHEMBL6698030 0.67 MC4R (0.40) DPP8DPP7DPP4

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 HDAC8 1870/4885DPP8 326/4885DPP7 230/4885

“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.