SCHEMBL6212781

SCHEMBL6212781

CCCN1CC(=O)[C@@H](NC(=O)[C@H](C(N)=O)C2CCCCC2)CC[C@H]1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.33
CTSL P07711 5/20 0.33
CTSS P25774 5/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL4314512 0.83 CTSK (0.38) CTSKCTSLCTSSALDH1A1KMT2A
SCHEMBL4310039 0.78 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL4310035 0.75
SCHEMBL13784227 0.70 CTSK (0.67) CTSKCTSLCTSSALDH1A1L3MBTL1
SCHEMBL13784228 0.70 CTSS (0.46) CTSKCTSLCTSS
SCHEMBL6211970 0.70 CTSK (0.61) CTSKCTSLCTSS
SCHEMBL4314509 0.68 CTSK (0.31) CTSKCTSLCTSS
SCHEMBL4316316 0.65 NPC1 (0.33) CTSKCTSLCTSSKMT2ACNR1
SCHEMBL7145927 0.63 EPHX1 (0.31) TSHRALDH1A1EPHX1
SCHEMBL5927948 0.61 EPHX1 (0.65) TP53ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.