SCHEMBL3915946

SCHEMBL3915946

CC1(C)OC[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL3920547 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3929478 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3927503 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3922565 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3917523 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3920065 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3917735 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL3921039 1.00 CA2 (0.33) CA2CA1THRBLMNACA9
SCHEMBL23273655 0.89 THRB (0.41) CA2CA1THRBLMNACA9
SCHEMBL9026184 0.89 THRB (0.41) CA2CA1THRBLMNACA9

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-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 — — US disclosed
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 — — US disclosed
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 — — US disclosed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 — — EP disclosed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 — — US disclosed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 — — EP disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 — — 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-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 CA2 4100/4885CA1 4679/4885THRB 4451/4885

“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.

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