SCHEMBL6356868

SCHEMBL6356868

C[C@@H](C[CH]C(=O)N[C@H]1CCN(C)N(C(=O)c2ccccn2)CC1=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.38
CTSL P07711 5/20 0.38
CTSS P25774 5/20 0.38
PDE4B Q07343 2/20 0.37
PDE5A O76074 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37
EPHX2 P34913 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM5A P29375 1/20 0.33
RBP4 P02753 1/20 0.33
CTSB P07858 2/20 0.32
NAMPT P43490 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSV O60911 1/20 0.32
CRBN Q96SW2 1/20 0.32
ACKR3 P25106 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL6355386 0.83 PDE5A (0.37) PDE4BPDE5APDE7APDE3AEPHX2
SCHEMBL6356870 0.81 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6258943 0.78 CTSL (0.40) CTSKCTSLCTSSL3MBTL1CTSB
SCHEMBL4320711 0.75 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4323803 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312947 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4310381 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL3934291 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316425 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096433 0.73 CTSK (0.42) CTSKCTSLCTSSPDE4BPDE7A

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-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide JEONG JAE U 2005-11-17 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-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide PRSS1, SPINT2, CTRL CTSK 39/4885CTSL 37/4885CTSS 7/4885

“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.