SCHEMBL2587895

SCHEMBL2587895

CCc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 10/20 0.45
CA2 P00918 10/20 0.45
CA9 Q16790 10/20 0.45
CA12 O43570 8/20 0.45
CA14 Q9ULX7 8/20 0.45
PRKCA P17252 1/20 0.43
AKT1 P31749 1/20 0.43
PTK2 Q05397 1/20 0.43
TSHR P16473 1/20 0.42
PTPN1 P18031 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41

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
SCHEMBL2587089 0.93 LMNA (0.48) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL31685772 0.93 LMNA (0.50) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL2584893 0.92 LMNA (0.44) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL2587807 0.89 LMNA (0.47) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL31685675 0.88 LMNA (0.52) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL31685489 0.88 LMNA (0.52) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL9856461 0.88 LMNA (0.52) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL2583271 0.88 LMNA (0.52) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL2583173 0.88 LMNA (0.51) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL2583464 0.88 LMNA (0.56) LMNAALDH1A1THRBSMN1; 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 7 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-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 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 (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 LMNA 1019/4885ALDH1A1 1466/4885THRB 3626/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH LMNA 694/4885ALDH1A1 2416/4885THRB 4276/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP LMNA 821/4885ALDH1A1 1128/4885THRB 2955/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 LMNA 1076/4885ALDH1A1 1367/4885THRB 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.