SCHEMBL6294795

SCHEMBL6294795

CN(C)c1ccc(C(=O)NC(Cc2ccc(F)cc2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.49
KMT2A Q03164 2/20 0.40
CTSL P07711 7/20 0.39
USP30 Q70CQ3 1/20 0.38
AVPR1A P37288 4/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
MMP1 P03956 3/20 0.37
CA2 P00918 1/20 0.37
OXTR P30559 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL6294822 0.93 CTSB (0.49) CTSBKMT2ACTSLCTSSCTSK
SCHEMBL6701120 0.93 CTSB (0.49) CTSBCTSLAVPR1ACTSSCTSK
SCHEMBL6696901 0.89 USP30 (0.42) CTSBCTSLUSP30CTSSCTSK
SCHEMBL6300636 0.89 CTSL (0.41) CTSBKMT2ACTSLUSP30AVPR1A
SCHEMBL6695685 0.89 CTSB (0.45) CTSBKMT2ACTSLCTSSCTSK
SCHEMBL6300222 0.88 CTSL (0.39) CTSBCTSLUSP30CTSSCTSK
SCHEMBL6294793 0.87 CTSB (0.45) CTSBKMT2ACTSLCTSSCTSK
SCHEMBL6698003 0.86 CTSL (0.45) CTSBKMT2ACTSLCTSSCTSK
SCHEMBL6300527 0.86 CTSL (0.38) CTSBKMT2ACTSLUSP30CTSS
SCHEMBL6992575 0.85 USP30 (0.48) CTSBCTSLUSP30CTSSCTSK

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 2 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

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 CTSB 33/4885KMT2A 4063/4885CTSL 15/4885

“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.