SCHEMBL4422700

SCHEMBL4422700

O=c1ccn([C@H]2CC(O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.68
TYMP P19971 1/20 0.58
TYMS P04818 4/20 0.48
P2RY2 P41231 2/20 0.45
P2RY4 P51582 2/20 0.45
P2RY6 Q15077 1/20 0.45

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
SCHEMBL10446525 1.00 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3492644 1.00 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3576744 1.00 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL10446526 1.00 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3576747 1.00 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL19841219 0.93 DUT (0.60) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL14403996 0.93 DUT (0.60) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL13444851 0.93 DUT (0.60) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3573134 0.93 DUT (0.60) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL912656 0.93 DUT (0.60) DUTTYMPTYMSP2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582748-B2 efficient synthetic route to an optionally protected 1-halo-2-deoxyribose; formation of an alkyl acetal, such as a methyl acetal, of a furanose, such as 2-deoxyribose, optionally protecting the remaining hydroxyl groups of the furanose, reacting the acetal with an acyl halide that forms the acid halide MICROBIOLOGICA QUIMICA E FARMACEUTICAL LTD. (BR) 2009-09-01 US disclosed
US-20040266996-A1 Methods of manufacture of 2'-deoxy-beta-L-nucleosides MICROBIOLOGICA QUIMICA E FARMACEUTICA LTD. (BR) 2004-12-30 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 (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-20040266996-A1 Methods of manufacture of 2'-deoxy-beta-L-nucleosides DUT, DAO, DCTD DUT 1/4885TYMP 8/4885TYMS 9/4885

“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.