SCHEMBL17130321

SCHEMBL17130321

CCCCOC[C@H]1O[C@@H](c2cnc3c(SC)ncnn23)[C@H](OCCCC)[C@@H]1OCCCC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 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
SCHEMBL18520959 0.86 GJB2 (0.33) GJB2
SCHEMBL15607004 0.86 GJB2 (0.31) GJB2
SCHEMBL15605955 0.86 GJB2 (0.33) GJB2
SCHEMBL18571873 0.85 GJB2 (0.30) GJB2
SCHEMBL17130416 0.85 GJB2 (0.30) GJB2
SCHEMBL17106843 0.81 HTR1A (0.41) GJB2
SCHEMBL15259017 0.80 GJB2 (0.32) GJB2
SCHEMBL18787326 0.80 GJB2 (0.32) GJB2
SCHEMBL15607005 0.78 GJB2 (0.39) GJB2
SCHEMBL15259013 0.78 — —

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-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT GJB2 4277/4885

“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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