SCHEMBL4973436

SCHEMBL4973436

CCCCOC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@H](F)[C@@H]1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.33
▸ POLRMT O00411 1/20 0.32
▸ GJB2 P29033 1/20 0.32
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL4971379 1.00 DOT1L (0.33) DOT1LPOLRMTGJB2PDE2A
SCHEMBL15605849 0.91 DOT1L (0.34) DOT1LPOLRMTGJB2
SCHEMBL15259017 0.85 GJB2 (0.32) GJB2PDE2A
SCHEMBL18787326 0.85 GJB2 (0.32) GJB2PDE2A
SCHEMBL4970295 0.84 GJB2 (0.31) GJB2PDE2A
SCHEMBL4970178 0.84 GJB2 (0.31) GJB2PDE2A
SCHEMBL17131381 0.83 DOT1L (0.39) DOT1LPOLRMT
SCHEMBL19227796 0.81 PDE2A (0.49) GJB2PDE2A
SCHEMBL18636426 0.81 PDE2A (0.49) GJB2PDE2A
SCHEMBL18571873 0.80 GJB2 (0.30) GJB2

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-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 — — US disclosed
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-05-03 — — 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-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 DOT1L 1221/4885POLRMT 103/4885GJB2 3616/4885
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 DOT1L 1151/4885POLRMT 103/4885GJB2 3376/4885

“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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