SCHEMBL6300424

SCHEMBL6300424

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
CTSL P07711 6/20 0.37
CTSS P25774 4/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 3/20 0.37
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.36
CA2 P00918 1/20 0.35
MC4R P32245 1/20 0.35
SRC P12931 1/20 0.35
AVPR1A P37288 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TACR2 P21452 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6300527 0.94 CTSL (0.38) IDO1CTSLCTSSCTSBCTSK
SCHEMBL6300604 0.93 CTSL (0.38) IDO1CTSLCTSSCTSBCTSK
SCHEMBL6991868 0.92 CTSL (0.39) IDO1CTSLCTSSCTSBCTSK
SCHEMBL6699086 0.90 KLKB1 (0.43) CTSLCTSSCTSBCTSKPPARG
SCHEMBL6294311 0.88 PSMB5 (0.40) CTSLCTSSCTSBCTSKCA2
SCHEMBL6698937 0.87 TACR2 (0.40) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6295728 0.87 CTSL (0.36) IDO1CTSLCTSSCTSBCTSK
SCHEMBL6698646 0.86 MEN1 (0.39) CTSLCTSSCTSBCTSKKMT2A
SCHEMBL6701120 0.85 CTSB (0.49) CTSLCTSSCTSBCTSKCA2
SCHEMBL6699096 0.85 CTSL (0.45) IDO1CTSLCTSSCTSBCTSK

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 IDO1 1118/4885CTSL 15/4885CTSS 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.