SCHEMBL6752287

SCHEMBL6752287

CN(C(=O)C(Cc1cccc(O)c1)NC(=O)c1cncc(-c2cccs2)c1)C1(C)COCC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.38
HCK P08631 3/20 0.36
NR2C2 P49116 3/20 0.36
BTK Q06187 3/20 0.36
CTSL P07711 4/20 0.34
CTSS P25774 3/20 0.34
CTSB P07858 2/20 0.34
CDK2 P24941 1/20 0.34
CTSK P43235 1/20 0.34
EPHA2 P29317 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PSMB5 P28074 1/20 0.32
CTSV O60911 1/20 0.32

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
SCHEMBL6752382 0.91 HPGDS (0.47) HPGDSCTSLCTSSCTSBCDK2
SCHEMBL6752300 0.87 CTSK (0.46) HCKNR2C2BTKCTSLCTSS
SCHEMBL6747834 0.82 HPGDS (0.44) HPGDSCTSLCTSSCTSBCTSK
SCHEMBL6752285 0.81 HPGDS (0.39) HPGDSHCKNR2C2BTKCTSL
SCHEMBL6752290 0.80 CTSL (0.46) HPGDSCTSL
SCHEMBL6749630 0.80 HPGDS (0.39) HPGDSCTSLCTSSCTSBCTSK
SCHEMBL6985444 0.79 HPGDS (0.39) HPGDSCTSLCTSSCTSBCTSK
SCHEMBL6751642 0.79 CTSL (0.45) HPGDSCTSLCTSSCTSBCTSK
SCHEMBL6747703 0.79 CTSL (0.40) HPGDSCTSLCTSSCTSBCTSK
SCHEMBL6749624 0.77 F10 (0.43) HPGDSSIRT2SIRT3

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 HPGDS 1248/4885HCK 537/4885NR2C2 3903/4885

“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.