SCHEMBL6475853

SCHEMBL6475853

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
HTT P42858 5/20 0.37
NPSR1 Q6W5P4 5/20 0.37
LMNA P02545 4/20 0.37
PKM P14618 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
XBP1 P17861 2/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL5744549 0.82 ATM (0.39) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL18341374 0.72 SERPINE1 (0.40) HTTNPSR1LMNAKMT2AMEN1
SCHEMBL20297986 0.72 SERPINE1 (0.40) HTTNPSR1LMNAKMT2AMEN1
SCHEMBL20297950 0.72 SERPINE1 (0.40) HTTNPSR1LMNAKMT2AMEN1
SCHEMBL5743936 0.70 CTSL (0.44) ALDH1A1PKMATMITGA4ITGB7
SCHEMBL5743759 0.70 CTSK (0.42) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL4698511 0.70 CYP1A2 (0.54)
SCHEMBL10209761 0.69 CTSK (0.41) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL719092 0.69 CYP24A1 (0.35) CA12CA1CA7ATM
Dl-Phenylalanine SCHEMBL29077118 0.69 SLC7A5 (0.67) PKM

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
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 ALDH1A1 3348/4885HPGD 2736/4885HTT 2476/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS ALDH1A1 3475/4885HPGD 2259/4885HTT 1915/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ALDH1A1 3111/4885HPGD 458/4885HTT 3893/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK ALDH1A1 3118/4885HPGD 3067/4885HTT 2329/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ALDH1A1 3111/4885HPGD 458/4885HTT 3893/4885

“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.