SCHEMBL6294295

SCHEMBL6294295

O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.40
AKT1 P31749 1/20 0.39
PSMB5 P28074 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 2/20 0.39
SSTR3 P32745 1/20 0.36
MDM2 Q00987 1/20 0.35
CCR3 P51677 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 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
SCHEMBL6699255 0.92 CTSL (0.40) CTSLCYP2D6CYP2C9SSTR3CCR3
SCHEMBL6294311 0.91 PSMB5 (0.40) CTSLPSMB5
SCHEMBL6701575 0.91 TRPV1 (0.44) CTSLCYP2D6CYP2C9
SCHEMBL6702836 0.90 CTSL (0.41) CTSLCYP2D6CYP2C9CCR3PPARG
SCHEMBL6300222 0.89 CTSL (0.39) CTSL
SCHEMBL6294790 0.89 CTSL (0.39) CTSLMRGPRX4PPARG
SCHEMBL6991868 0.88 CTSL (0.39) CTSLCYP2D6CYP2C9SSTR3
SCHEMBL6695685 0.88 CTSB (0.45) CTSLCYP2D6CYP2C9SSTR3CCR3
SCHEMBL6295787 0.87 CTSL (0.46) CTSLSSTR3MRGPRX4PPARG
SCHEMBL6700741 0.86 DRD2 (0.45) CTSLCYP2D6CYP2C9

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 15/4885AKT1 2756/4885PSMB5 272/4885

“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.