SCHEMBL14643301

SCHEMBL14643301

CC(=O)OC1O[C@H]([C@@H](C)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.37
SLC43A1 O75387 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL13134669 1.00 ABCB1 (0.38) ABCB1TSHRKMT2ASLC43A1GAA
SCHEMBL2814786 0.92 NT5E (0.38) KMT2A
SCHEMBL13134599 0.90 GAA (0.36) ABCB1TSHRGAA
SCHEMBL14643296 0.90 GAA (0.36) ABCB1TSHRGAA
SCHEMBL13190548 0.87 ABCB1 (0.41) ABCB1TSHRKMT2ASLC43A1
SCHEMBL15160615 0.85 ABCB1 (0.35) ABCB1TSHRKMT2ASLC43A1
SCHEMBL382002 0.83 ABCB1 (0.38) ABCB1TSHRKMT2ASLC43A1
SCHEMBL779110 0.83 ABCB1 (0.38) ABCB1TSHRKMT2ASLC43A1
SCHEMBL381933 0.83 ABCB1 (0.38) ABCB1TSHRKMT2ASLC43A1
SCHEMBL2815213 0.82 NT5E (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408863-B2 5′-substituted nucleoside analogs and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed
US-9408863-B2 5′-substituted nucleoside analogs and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed
US-20140221304-A1 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-08-07 US disclosed
US-20140221304-A1 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-08-07 US disclosed
WO-2013009737-A1 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-01-17 WO 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-20140221304-A1 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NT5C3B, PNP, SLC29A1 ABCB1 439/4885TSHR 2474/4885KMT2A 3167/4885

“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.