SCHEMBL5744549

SCHEMBL5744549

CC(C)(C)OC(N)=O.CC(C)(C)[Si](C)(C)OC[C@@H](O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRR Q9GZT4 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC7A5 Q01650 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3428431 0.87 ADRB2 (0.40) POLBSRRADRB2ADRB1ADRB3
SCHEMBL3428434 0.87 ADRB2 (0.40) POLBSRRADRB2ADRB1ADRB3
SCHEMBL6475853 0.82 ALDH1A1 (0.37) ATMITGA4ITGB7POLBMAPT
SCHEMBL6476417 0.80 ATM (0.44) ATMITGA4ITGB7POLBMAPT
SCHEMBL4698511 0.75 CYP1A2 (0.54)
SCHEMBL6349630 0.74 CSNK1E (0.47) TRPA1
SCHEMBL754623 0.74 HDAC1 (0.43) POLBMAPTADRB3CTSSCTSL
SCHEMBL29235808 0.73 FOLH1 (0.42) ADRB2ADRB1ADRB3ALDH1A1LMNA
Dl-Phenylalanine SCHEMBL29077118 0.73 SLC7A5 (0.67) SRRSLC7A5PKM
SCHEMBL6171832 0.73 DHFR (0.41) ADRB2ADRB1ADRB3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 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
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (5 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ ATM 3054/4885ITGA4 1197/4885ITGB7 795/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS ATM 3608/4885ITGA4 722/4885ITGB7 891/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ATM 2255/4885ITGA4 4833/4885ITGB7 4649/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK ATM 3040/4885ITGA4 1406/4885ITGB7 1020/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ATM 2255/4885ITGA4 4833/4885ITGB7 4649/4885

“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.