SCHEMBL3409599

SCHEMBL3409599

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMYD2 Q9NRG4 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP24A1 Q07973 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
VDR P11473 1/20 0.35
STAT3 P40763 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3021239 1.00 CYP3A4 (0.36) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL4951192 0.96 CYP3A4 (0.38) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL13250784 0.93 KEAP1 (0.36) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL7277568 0.89 CYP24A1 (0.40) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL3290837 0.89 CYP24A1 (0.40) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL13670636 0.88 CYP24A1 (0.39) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL20601810 0.82 CYP3A4 (0.37) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL23611465 0.81 CA12 (0.42) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL25390430 0.81 CA12 (0.42) CYP3A4CA12CA1CA9CYP2C19
SCHEMBL17185826 0.81 CA12 (0.42) CYP3A4CA12CA1CA9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344125-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20100179309-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-07-15 US disclosed
US-20050164235-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue; drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs for hepatitis virus ALNYLAM PHARMACEUTICALS, INC. 2005-07-28 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-20100179309-A1 MODIFIED iRNA AGENTS HNRNPA0, HNRNPA1, SNRPA CYP3A4 4535/4885CA12 1723/4885CA1 3108/4885
US-20050164235-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue; drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs for hepatitis virus HAVCR2, LDLR, RNASE1 CYP3A4 2459/4885CA12 3391/4885CA1 4472/4885

“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.