SCHEMBL6485378

SCHEMBL6485378

CC(CCNC(=O)c1ccccc1)C(C)CC(=O)NC1C(=O)COC1CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSK P43235 5/20 0.35
CTSL P07711 4/20 0.35
CTSS P25774 4/20 0.35
TPSAB1 Q15661 3/20 0.35
KCNA5 P22460 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL6486478 0.91 CTSL (0.41) EPHX2SMN1; SMN2NPC1RAB9ACTSK
SCHEMBL6485087 0.89 NAAA (0.36) EPHX2SMN1; SMN2NPC1RAB9ACTSK
SCHEMBL6476464 0.86 EPHX2 (0.36) EPHX2SMN1; SMN2NPC1RAB9ACTSK
SCHEMBL6476449 0.85 RAB9A (0.36) SMN1; SMN2NPC1RAB9ACTSKCTSL
SCHEMBL6476739 0.85 CCR2 (0.37) EPHX2SMN1; SMN2NPC1RAB9ACTSK
SCHEMBL6586762 0.81 CTSL (0.32) CTSKCTSLCTSS
SCHEMBL6489960 0.81 RAB9A (0.36) SMN1; SMN2NPC1RAB9ACTSKCTSL
SCHEMBL6483463 0.80 RAB9A (0.35) SMN1; SMN2NPC1RAB9ACTSKCTSL
SCHEMBL6475833 0.79 ESRRG (0.35) SMN1; SMN2NPC1RAB9ACTSKCTSL
SCHEMBL6483202 0.79 CTSL (0.43) CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US claimed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP claimed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US claimed
JP-2002544274-A 2002-12-24 JP claimed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP claimed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO 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 EPHX2 2750/4885SMN1; SMN2 4633/4885NPC1 1874/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV EPHX2 2750/4885SMN1; SMN2 4633/4885NPC1 1874/4885

“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.