SCHEMBL4163722

SCHEMBL4163722

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCN1CCOCC1)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ GAA P10253 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL4172727 0.88 CA1 (0.34) CA1CA2CA9
SCHEMBL4597120 0.84 HRH3 (0.37) —
SCHEMBL9298888 0.84 CA1 (0.34) CA1CA2CA9
SCHEMBL4597673 0.83 SLC6A2 (0.39) GAA
SCHEMBL4595444 0.82 SIGMAR1 (0.46) —
SCHEMBL4597107 0.82 DRD2 (0.46) —
SCHEMBL4597224 0.80 ALDH1A1 (0.32) —
SCHEMBL4167404 0.80 CA1 (0.40) CA1CA2CA9CA12CA4
SCHEMBL4996530 0.80 CA1 (0.40) CA1CA2CA9CA12CA4
SCHEMBL9298111 0.78 CA1 (0.38) CA1CA2CA9CA12CA4

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-20080114031-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-05-15 — — US claimed
EP-1842855-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-10 — — EP claimed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 — — US disclosed
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-05-15 — — US disclosed
EP-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 — — EP disclosed
EP-1842855-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-10 — — EP disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 — — 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 (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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 CA1 2555/4885CA2 4209/4885CA9 1801/4885
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 CA1 2839/4885CA2 4336/4885CA9 1937/4885

“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