SCHEMBL6701942

SCHEMBL6701942

CC(C)CC(NC(=O)c1cncc(-c2cccs2)c1)C(=O)NC12CCCC1OCC2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
CTSL P07711 6/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 2/20 0.38
HSPA5 P11021 1/20 0.35
HSPA2 P54652 1/20 0.35
HCK P08631 1/20 0.34
NR2C2 P49116 1/20 0.34
BTK Q06187 1/20 0.34
CAPNS1 P04632 1/20 0.34
CAPN1 P07384 1/20 0.34
ECE1 P42892 1/20 0.34
EPHA2 P29317 1/20 0.34

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
SCHEMBL6703752 0.89 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL6703709 0.88 CDK2 (0.39) CTSKCTSLCTSSCTSBHCK
SCHEMBL6705009 0.88 CNR1 (0.37) CTSKCTSLCTSSEPHA2
SCHEMBL6704787 0.87 DRD2 (0.37) CTSKCTSLCTSS
SCHEMBL6698609 0.87 HPGDS (0.37) CTSKCTSLCTSSCTSBEPHA2
SCHEMBL6702842 0.86 CTSL (0.39) CTSKCTSLCTSSHCKNR2C2
SCHEMBL6752296 0.84 CTSK (0.43) CTSKCTSLCTSSCTSBHSPA5
SCHEMBL6294857 0.78 CTSL (0.47) CTSKCTSLCTSSCTSB
SCHEMBL6699225 0.78 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL6702085 0.77 HPGDS (0.45) CTSKCTSLCTSSCTSB

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 CTSK 46/4885CTSL 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.