SCHEMBL6700236

SCHEMBL6700236

O=C(NC(Cc1ccc(Cl)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
CTSS P25774 6/20 0.39
CTSL P07711 5/20 0.39
CTSB P07858 5/20 0.39
CTSK P43235 4/20 0.39
SRC P12931 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
DRD4 P21917 7/20 0.38
DRD2 P14416 6/20 0.38
HTR2A P28223 5/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL6704289 0.93 HPGDS (0.47) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6703064 0.93 HPGDS (0.47) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6700741 0.92 DRD2 (0.45) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6704787 0.90 DRD2 (0.37) HPGDSCTSSCTSLCTSKSRC
SCHEMBL6702085 0.89 HPGDS (0.45) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6703752 0.86 CTSK (0.47) HPGDSCTSSCTSLCTSBCTSK
SCHEMBL6294311 0.86 PSMB5 (0.40) CTSSCTSLCTSBCTSK
SCHEMBL6698937 0.85 TACR2 (0.40) CTSSCTSLCTSBCTSK
SCHEMBL6698646 0.84 MEN1 (0.39) CTSSCTSLCTSBCTSK
SCHEMBL6701120 0.83 CTSB (0.49) CTSSCTSLCTSBCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGDS 1729/4885CTSS 19/4885CTSL 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.