SCHEMBL2583277

SCHEMBL2583277

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)cc1C=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MTOR P42345 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
MDM2 Q00987 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GMNN O75496 1/20 0.43
NFKB1 P19838 1/20 0.43
DNMT1 P26358 1/20 0.43
THPO P40225 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
PMP22 Q01453 1/20 0.43
TK2 O00142 2/20 0.40
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL2583274 1.00 LMNA (0.43) LMNAMTORALDH1A1TP53THRB
SCHEMBL2585150 0.92 LMNA (0.43) LMNAMTORALDH1A1TP53THRB
SCHEMBL2585144 0.92 LMNA (0.43) LMNAMTORALDH1A1TP53THRB
SCHEMBL2587741 0.91 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL2402331 0.91 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL2587736 0.91 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL2402336 0.91 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL16631971 0.91 LMNA (0.54) LMNAMTORALDH1A1TP53THRB
SCHEMBL2583136 0.90 LMNA (0.45) LMNAMTORALDH1A1TP53THRB
SCHEMBL2583141 0.90 LMNA (0.45) LMNAMTORALDH1A1TP53THRB

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 LMNA 1019/4885MTOR 3027/4885ALDH1A1 1466/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH LMNA 694/4885MTOR 3588/4885ALDH1A1 2416/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP LMNA 821/4885MTOR 3796/4885ALDH1A1 1128/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 LMNA 1076/4885MTOR 3184/4885ALDH1A1 1367/4885

“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.