SCHEMBL6486830

SCHEMBL6486830

CC(C)(CCNC(=O)c1ccccc1)CCC(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
ACHE P22303 1/20 0.36
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6486296 0.92 ACHE (0.36) CCR2ACHESMN1; SMN2NPSR1
SCHEMBL6476946 0.88 CTSL (0.42) DHODHL3MBTL1SMN1; SMN2
SCHEMBL6483017 0.86 ACHE (0.35) CCR2ACHESMN1; SMN2NPSR1
SCHEMBL6476233 0.85 RAB9A (0.34) CCR2ACHESMN1; SMN2
SCHEMBL6483463 0.85 RAB9A (0.35) DHODHL3MBTL1SMN1; SMN2
SCHEMBL6476921 0.84 CTSL (0.39) SMN1; SMN2
SCHEMBL6475024 0.83 NPC1 (0.34) DHODHL3MBTL1SMN1; SMN2
SCHEMBL6475695 0.82 OPRK1 (0.37) ACHE
SCHEMBL6476739 0.81 CCR2 (0.37) CCR2ACHESMN1; SMN2NPSR1
SCHEMBL6475738 0.80 KDM4E (0.38) CCR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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 (2 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CCR2 144/4885ACHE 1195/4885DHODH 3048/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CCR2 144/4885ACHE 1195/4885DHODH 3048/4885

“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.