SCHEMBL6807048

SCHEMBL6807048

CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)C/C1=N\NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.42
CTSL P07711 7/20 0.41
CTSS P25774 7/20 0.41
CTSB P07858 5/20 0.41
CTSV O60911 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
BTK Q06187 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
SMYD3 Q9H7B4 3/20 0.35
GPR119 Q8TDV5 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
SCHEMBL6807050 1.00 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6206077 0.80 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6206079 0.80 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131623 0.76 ALOX5AP (0.42) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL5105404 0.76 ALOX5AP (0.42) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL6800598 0.76 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6800595 0.76 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6800603 0.76 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6807052 0.71 MMP13 (0.35) CTSKKDM4EALDH1A1LMNAPKM
SCHEMBL31444245 0.71 BRD4 (0.42) CTSKALOX5APFEN1BTKGPR119

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-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 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-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.