SCHEMBL4714807

SCHEMBL4714807

CC(C)C1COC(=O)N1C(=O)C(CC(=O)OC(C)(C)C)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.41
STAT3 P40763 1/20 0.39
IDH1 O75874 5/20 0.34
PIK3CD O00329 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
LTA4H P09960 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
SCHEMBL7280265 0.95 IL6ST (0.43) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL7280251 0.95 IL6ST (0.43) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL7280258 0.95 IL6ST (0.43) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL4716081 0.85 IL6ST (0.46) IL6STSTAT3IDH1PIK3CDCTSS
SCHEMBL8211410 0.84 IL6ST (0.45) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL8211407 0.84 IL6ST (0.45) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL6450744 0.84 IL6ST (0.45) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL8211409 0.84 IL6ST (0.45) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL8634121 0.81 IL6ST (0.48) IL6STSTAT3IDH1PIK3CDPLA2G10
SCHEMBL7344045 0.81 IL6ST (0.48) IL6STSTAT3IDH1PIK3CDPLA2G10

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-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
EP-1248612-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-09-07 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
EP-1248612-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-16 EP disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US disclosed
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 WO disclosed
WO-2001049288-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-07-12 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 (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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 IL6ST 2687/4885STAT3 3821/4885IDH1 3572/4885

“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.