SCHEMBL277481

SCHEMBL277481

CC1(C)OCC([C@H]2OC(OC(=N)C(Cl)(Cl)Cl)C3OC(C)(C)O[C@@H]32)O1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL321709 1.00 CA2 (0.38) CA2CA1CA9
SCHEMBL13053720 1.00 CA2 (0.38) CA2CA1CA9
SCHEMBL12712866 1.00 CA2 (0.38) CA2CA1CA9
SCHEMBL22149279 0.91 CA1 (0.33) CA2CA1CA9
SCHEMBL22149284 0.91 CA1 (0.33) CA2CA1CA9
SCHEMBL7152300 0.80 CA2 (0.44) CA2CA1CA9
SCHEMBL13954220 0.79 CA1 (0.32) CA2CA1CA9
SCHEMBL13053771 0.77 CA1 (0.34) CA2CA1CA9
SCHEMBL11126008 0.76 CA2 (0.41) CA2CA1CA9
SCHEMBL328620 0.76 CA2 (0.41) CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133881-B2 \"street-safe\" version of a controlled substance such as fentanyl, levorphanol, methadone, oxycodone, morphine, amphetamine, methylphenidate that permits the therapeutically beneficial effects while reducing euphoric effects that lead to substance abuse SHIRE LLC (US) 2012-03-13 — — US disclosed
US-20090036553-A1 DENDRITIC ENCAPSULATION OF ACTIVE AGENTS SHIRE LLC (US) 2009-02-05 — — US disclosed
US-7438900-B2 Dendritic encapsulation of active agents SHIRE LLC (US) 2008-10-21 — — US disclosed
US-20070197451-A1 Carbohydrate conjugates to prevent abuse of controlled substances SHIRE LLC 2007-08-23 — — 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 (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-20090036553-A1 DENDRITIC ENCAPSULATION OF ACTIVE AGENTS DDOST, CLEC4M, SDCBP CA2 3590/4885CA1 1698/4885CA9 2818/4885
US-20070197451-A1 Carbohydrate conjugates to prevent abuse of controlled substances CES2, FUT6, FUT5 CA2 1020/4885CA1 322/4885CA9 228/4885

“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.

Send feedback