SCHEMBL2584954

SCHEMBL2584954

CC(=O)OC[C@H]1O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.47
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2584957 1.00 TK2 (0.47) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2583331 0.95 LMNA (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2800558 0.95 LMNA (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2581122 0.93 LMNA (0.44) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2581121 0.93 LMNA (0.44) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2580770 0.92 LMNA (0.41) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2580767 0.92 LMNA (0.41) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2583567 0.91 LMNA (0.43) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2580930 0.90 LMNA (0.42) TK2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2589830 0.89 LMNA (0.46) TK2LMNATHRBSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 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 (4 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 TK2 149/4885LMNA 1019/4885THRB 3626/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK2 261/4885LMNA 694/4885THRB 4276/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK2 159/4885LMNA 821/4885THRB 2955/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK2 190/4885LMNA 1076/4885THRB 3664/4885

“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.