SCHEMBL4949133

SCHEMBL4949133

CC(C)CN(O)[C@H]1[C@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.38
DUT P33316 1/20 0.38
P2RY14 Q15391 6/20 0.38
P2RY2 P41231 6/20 0.38
P2RY12 Q9H244 3/20 0.36
P2RY4 P51582 1/20 0.36
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36

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
SCHEMBL4953569 0.89 P2RY1 (0.42) P2RY6DUTP2RY14P2RY2P2RY12
SCHEMBL4953147 0.88 P2RY6 (0.36) P2RY6P2RY14P2RY2
SCHEMBL5637213 0.88 P2RY6 (0.36) P2RY6P2RY14P2RY2
SCHEMBL4951311 0.86 P2RY2 (0.37) P2RY6DUTP2RY14P2RY2P2RY12
SCHEMBL5636071 0.84 DUT (0.42) P2RY6DUTP2RY14P2RY2P2RY12
SCHEMBL18503514 0.81 DUT (0.42) P2RY6DUTP2RY14P2RY2P2RY12
SCHEMBL4952908 0.80 SLC28A1 (0.54) P2RY6P2RY14P2RY2P2RY4SLC28A1
SCHEMBL17198402 0.80 DUT (0.39) P2RY6DUTP2RY14P2RY2P2RY12
SCHEMBL18512723 0.78 SLC28A1 (0.49) P2RY6P2RY14P2RY2P2RY4SLC28A1
SCHEMBL25718735 0.78 SLC28A1 (0.49) P2RY6P2RY14P2RY2P2RY4SLC28A1

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
EP-1284741-B1 3'-OR 2'-HYDROXYMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET INC (US) 2008-11-19 EP disclosed
EP-1964569-A2 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of viral infections Pharmasset, Inc. (US) 2008-09-03 EP disclosed
US-7094770-B2 3′-or 2′-hydroxymethyl substituted nucleoside derivatives for treatment of hepatitis virus infections PHARMASSET, LTD. (BB) 2006-08-22 US disclosed
US-20020055483-A1 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of hepatites virus infections PHARMASSET, INC. 2002-05-09 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-20020055483-A1 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of hepatites virus infections HCCS, HDGF, HMBS P2RY6 2891/4885DUT 5/4885P2RY14 3354/4885

“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.