SCHEMBL2585673

SCHEMBL2585673

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
LMNA P02545 4/20 0.49
MTOR P42345 2/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
DNMT1 P26358 1/20 0.49
THPO P40225 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
HBB P68871 1/20 0.49
PMP22 Q01453 1/20 0.49
NT5E P21589 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL11208653 0.91 ALB (0.51) ALBLMNAMTORALDH1A1THRB
Hydrochloric Acid SCHEMBL10886607 0.89 ALB (0.50) ALBLMNAMTORALDH1A1THRB
Hydrochloric Acid SCHEMBL10886613 0.89 ALB (0.50) ALBLMNAMTORALDH1A1THRB
SCHEMBL2583898 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL21423108 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL5697575 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL547089 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL1230711 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL16805415 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL4286246 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB

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 8 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
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 ALB 3294/4885LMNA 1019/4885MTOR 3027/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ALB 3183/4885LMNA 694/4885MTOR 3588/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP ALB 3735/4885LMNA 821/4885MTOR 3796/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ALB 3667/4885LMNA 1076/4885MTOR 3184/4885

“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.