SCHEMBL6590478

SCHEMBL6590478

CC(C[CH]C(=O)NC1C(=O)COC1CN1CCCC1)(Cc1ccccc1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
ABCB1 P08183 2/20 0.32
ALDH1A1 P00352 4/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CYP2D6 P10635 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 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
SCHEMBL7523232 0.91 ABCB1 (0.37) HRH3ABCB1ALDH1A1L3MBTL1
SCHEMBL6590969 0.91 ABCB1 (0.37) HRH3ABCB1ALDH1A1L3MBTL1
SCHEMBL6589398 0.88 CTSL (0.38) ALDH1A1CTSLCTSSCTSKCYP3A4
SCHEMBL7420898 0.88 CTSL (0.38) ALDH1A1CTSLCTSSCTSKCYP3A4
SCHEMBL6590150 0.86 CCR1 (0.32) HRH3CTSLCTSSCTSKCYP2D6
SCHEMBL7523800 0.84 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL6587760 0.84 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL6590297 0.83 CYP3A4 (0.34) ALDH1A1MMEACECYP3A4CYP2C9
SCHEMBL7413329 0.83 CYP3A4 (0.34) ALDH1A1MMEACECYP3A4CYP2C9
SCHEMBL6586151 0.83 ALDH1A1 (0.31) ALDH1A1CTSLCTSSCTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV HRH3 918/4885ABCB1 2519/4885ALDH1A1 3111/4885

“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.